| Properties | Image |
|---|
| MNX_ID | MNXM167490 |
 |
| reference | sabiorkM:22723 |
| formula | C15H22N5O14P2 |
| global charge | 1 |
| mol weight | 558.31 |
| InChIKey | LGXVTHFFJWVVKZ-AIKIOGRUSA-O |
| InChI | InChI=1S/C15H21N5O14P2/c16-15-17-11-6(12(25)18-15)19-3-20(11)14-10(24)8(22)5(33-14)2-31-36(28,29)34-35(26,27)30-1-4-7(21)9(23)13(19)32-4/h3-5,7-10,13-14,21-24H,1-2H2,(H4-,16,17,18,25,26,27,28,29)/p+1/t4-,5-,7-,8-,9-,10-,13-,14-/m1/s1 |
| SMILES | N=C1N=C(O)C2=C(N1)N1C=[N+]2[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H]1[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O |
MNX internals
| InChI (mnx) | InChI=1/C15H21N5O14P2/c16-15-17-11-6(12(25)18-15)19-3-20(11)14-10(24)8(22)5(33-14)2-31-36(28,29)34-35(26,27)30-1-4-7(21)9(23)13(19)32-4/h3-5,7-10,13-14,21-24H,1-2H2,(H4-,16,17,18,25,26,27,28,29)/t4-,5-,7-,8-,9-,10-,13-,14-/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]1[C@@H:4]2[C@@H:7]([OH:21])[C@@H:9]([OH:23])[C@H:13]([N+:19]3=[CH:3][N:20]([C:11]4=[C:6]3[C:12]([OH:25])=[N:18][C:15](=[NH:16])[NH:17]4)[C@H:14]3[C@H:10]([OH:24])[C@H:8]([OH:22])[C@@H:5]([CH2:2][O:31][P:36](=[O:28])([O-:29])[O:34][P:35](=[O:26])([OH:27])[O:30]1)[O:33]3)[O:32]2 |
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