Molecule FYI-1015409

A

Molecule Summary:

ID: FYI-1015409
Names:
InChIKey: GXFRJUSMTRJTNS-IARIHHJXSA-N
SMILES: Cc3cn([C@@H]1O[C@@]2(COP(=O)(O)OCCCO)CO[C@@H]1[C@@H]2OP(=O)(O)OCCCO)c(=O)[nH]c3=O

Received at FYIcenter.com on: 2025-09-01

Molecule ID: FYI-1015409 Edit

Molecule Structure InChIKey: GXFRJUSMTRJTNS-IARIHHJXSA-N

Molecule Structure SMILES String: Cc3cn([C@@H]1O[C@@]2(COP(=O)(O)OCCCO)CO[C@@H]1[C@@H]2OP(=O)(O)OCCCO)c(=O)[nH]c3=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1015409
FYIcenter.com

 35 37  0  0  1  0  0  0  0  0999 V2000
   14.3006   10.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2174    9.1868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9917    8.5752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9087    7.2079    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6829    6.5961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4675    7.2283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4908    6.2678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3045    6.9527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1182    6.2678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9317    6.9527    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    6.6167    8.1390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2468    8.1390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7454    6.2678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5591    6.9527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3728    6.2678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1863    6.9527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0164    4.4664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2329    3.8083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4573    5.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1025    5.0420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3898    3.6779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1019    3.7665    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    8.0416    5.1350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8865    4.3986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4697    2.5511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1012    2.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4691    1.2755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1005    1.2154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4684    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0511    6.4521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9680    5.0849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2769    7.0638    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.3601    8.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5858    9.0429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  1  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  8  1  1  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 13 10  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18  7  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  6  0  0  0
 20  5  1  0  0  0  0
 21 20  1  0  0  0  0
 21  7  1  0  0  0  0
 21 22  1  6  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 23  1  0  0  0  0
 26 23  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31  4  1  0  0  0  0
 32 31  2  0  0  0  0
 33 31  1  0  0  0  0
 34 33  1  0  0  0  0
 34  2  1  0  0  0  0
 35 34  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015409-3D
FYIcenter.com

 63 65  0  0  1  0  0  0  0  0999 V2000
    2.0831   -0.3299    2.3635 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9873   -0.1172    1.1951 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8026    0.9371    1.0683 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5423    1.1741   -0.0725 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2691    2.4294   -0.2718 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1661    3.2855    0.9056 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5287    4.5118    0.4224 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9382    5.3435    1.5446 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8817    5.6492    2.5923 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1783    6.5565    3.8865 P   0  0  3  0  0  0  0  0  0  0  0  0
    3.2474    5.3658    4.1408 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5167    6.3082    4.7854 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4749    7.4638    5.1806 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6069    6.7519    6.0805 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0636    7.6337    7.1979 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1520    8.1518    8.1244 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0265    9.0352    7.4369 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5522    5.2278   -0.4590 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5733    4.4137   -1.6679 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6531    3.3192   -1.3858 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5297    3.9890   -0.6056 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8015    4.9678   -1.3316 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0146    4.3338   -2.7358 P   0  0  3  0  0  0  0  0  0  0  0  0
    0.8679    3.8460   -1.8429 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5594    5.8414   -3.1554 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2277    3.6998   -4.1400 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4856    2.2679   -4.1485 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6963    1.3696   -5.1068 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2260    1.2567   -6.5292 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6147    0.9531   -6.5066 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5711    0.2594   -1.1163 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1670    0.4546   -2.1728 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8222   -0.8710   -0.9357 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9328   -1.0897    0.0815 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1344   -2.0169    0.0602 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1390    0.5031    3.0729 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3448   -1.2481    2.8976 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0423   -0.3998    2.0292 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8647    1.6727    1.8684 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3283    2.2164   -0.4555 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5330    6.2856    1.1608 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1115    4.7656    1.9691 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2413    6.9217    4.5848 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1520    5.9047    6.5123 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7403    6.3852    5.5182 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3454    7.0472    7.7841 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5305    8.4812    6.7533 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7400    7.3294    8.5443 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000    8.7030    8.9549 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2360    8.6028    6.5869 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5587    5.2302   -0.0289 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2556    6.2418   -0.7394 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3770    2.8282   -2.3134 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8277    3.2677   -0.1764 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6774    5.9815   -2.7614 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5639    2.1184   -4.2603 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2229    1.8937   -3.1519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3650    1.6323   -5.1230 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7740    0.3547   -4.6885 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0594    2.1762   -7.0992 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7156    0.4372   -7.0496 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0359    1.4655   -7.2187 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7865   -1.5164   -1.7092 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 36  1  0  0  0  0
  1 37  1  0  0  0  0
  1 38  1  0  0  0  0
  2  3  2  0  0  0  0
  2 34  1  0  0  0  0
  3  4  1  0  0  0  0
  3 39  1  0  0  0  0
  4 31  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 20  1  0  0  0  0
  5 40  1  6  0  0  0
  6  7  1  0  0  0  0
  7 18  1  0  0  0  0
  7 21  1  0  0  0  0
  7  8  1  1  0  0  0
  8  9  1  0  0  0  0
  8 41  1  0  0  0  0
  8 42  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 43  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 44  1  0  0  0  0
 14 45  1  0  0  0  0
 15 16  1  0  0  0  0
 15 46  1  0  0  0  0
 15 47  1  0  0  0  0
 16 17  1  0  0  0  0
 16 48  1  0  0  0  0
 16 49  1  0  0  0  0
 17 50  1  0  0  0  0
 18 19  1  0  0  0  0
 18 51  1  0  0  0  0
 18 52  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 53  1  6  0  0  0
 21 22  1  0  0  0  0
 21 54  1  1  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 25 55  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 56  1  0  0  0  0
 27 57  1  0  0  0  0
 28 29  1  0  0  0  0
 28 58  1  0  0  0  0
 28 59  1  0  0  0  0
 29 30  1  0  0  0  0
 29 60  1  0  0  0  0
 29 61  1  0  0  0  0
 30 62  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 63  1  0  0  0  0
 34 35  2  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-11-06, 502👍, 0💬