| Properties | Image |
|---|
| MNX_ID | MNXM166695 |
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| reference | sabiorkM:24798 |
| formula | C9H14N6O11P2 |
| global charge | 0 |
| mol weight | 444.19 |
| InChIKey | NKMPNTJLQXPYPV-UMMCILCDSA-N |
| InChI | InChI=1S/C9H14N6O11P2/c10-9-11-6-3(7(18)12-9)13-14-15(6)8-5(17)4(16)2(25-8)1-24-28(22,23)26-27(19,20)21/h2,4-5,8,14,16-17H,1H2,(H,22,23)(H2,10,12,18)(H2,19,20,21)/t2-,4-,5-,8-/m1/s1 |
| SMILES | N=C1N=C(O)C2=NNN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)C2=N1 |
MNX internals
| InChI (mnx) | InChI=1/C9H14N6O11P2/c10-9-11-6-3(7(18)12-9)13-14-15(6)8-5(17)4(16)2(25-8)1-24-28(22,23)26-27(19,20)21/h2,4-5,8,14,16-17H,1H2,(H,22,23)(H2,10,12,18)(H2,19,20,21)/t2-,4-,5-,8-/m1/s1 |
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| SMILES (mnx) | [CH2:1]([C@@H:2]1[C@@H:4]([OH:16])[C@@H:5]([OH:17])[C@H:8]([N:15]2[C:6]3=[N:11][C:9](=[NH:10])[N:12]=[C:7]([OH:18])[C:3]3=[N:13][NH:14]2)[O:25]1)[O:24][P:28]([OH:22])(=[O:23])[O:26][P:27]([OH:19])([OH:20])=[O:21] |
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