| Properties | Image |
|---|
| MNX_ID | MNXM1133060 |
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| reference | sabiorkM:31813 |
| formula | C19H25N6O8P |
| global charge | 0 |
| mol weight | 496.417 |
| InChIKey | JJLCVHBFTXDJMM-KFAHYOAQSA-N |
| InChI | InChI=1S/C19H25N6O8P/c20-11(5-10-1-3-12(26)4-2-10)6-31-34(29,30)32-7-13-15(27)16(28)19(33-13)25-9-24-14-17(21)22-8-23-18(14)25/h1-4,8-9,11,13,15-16,19,26-28H,5-7,20H2,(H,29,30)(H2,21,22,23)/t11-,13+,15+,16+,19+/m0/s1 |
| SMILES | NC1=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OC[C@@H](N)CC4=CC=C(O)C=C4)[C@@H](O)[C@H]3O)C2=NC=N1 |
MNX internals
| InChI (mnx) | InChI=1/C19H25N6O8P/c20-11(5-10-1-3-12(26)4-2-10)6-31-34(29,30)32-7-13-15(27)16(28)19(33-13)25-9-24-14-17(21)22-8-23-18(14)25/h1-4,8-9,11,13,15-16,19,26-28H,5-7,20H2,(H,29,30)(H2,21,22,23)/t11-,13+,15+,16+,19+/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:3][C:12]([OH:26])=[CH:4][CH:2]=[C:10]1[CH2:5][C@@H:11]([CH2:6][O:31][P:34]([OH:29])(=[O:30])[O:32][CH2:7][C@@H:13]1[C@@H:15]([OH:27])[C@@H:16]([OH:28])[C@H:19]([N:25]2[CH:9]=[N:24][C:14]3=[C:17]([NH2:21])[N:22]=[CH:8][N:23]=[C:18]32)[O:33]1)[NH2:20] |
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