50N
Summary
| Name: | (1S)-1-(6-amino-2-hydroxy-5-nitropyridin-3-yl)-1,4-anhydro-5-O-phosphono-D-ribitol |
| Formula: | C10 H14 N3 O10 P |
| Formal charge: | 0 |
| Formula weight: | 367.206 Da |
| Component type: | RNA linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1S)-1-(6-amino-2-hydroxy-5-nitropyridin-3-yl)-1,4-anhydro-5-O-phosphono-D-ribitol |
| OpenEye OEToolkits | 1.9.2 | [(2R,3S,4R,5S)-5-(6-azanyl-5-nitro-2-oxidanyl-pyridin-3-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | P(O)(OCC1OC(C(C1O)O)c2c(O)nc(c(c2)[N+]([O-])=O)N)(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C10H14N3O10P/c11-9-4(13(17)18)1-3(10(16)12-9)8-7(15)6(14)5(23-8)2-22-24(19,20)21/h1,5-8,14-15H,2H2,(H3,11,12,16)(H2,19,20,21)/t5-,6-,7-,8+/m1/s1 |
| InChIKey | InChI | 1.03 | NFRHBMAHQZOVIK-XUTVFYLZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1nc(O)c(cc1[N+]([O-])=O)[C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O |
| SMILES | CACTVS | 3.385 | Nc1nc(O)c(cc1[N+]([O-])=O)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1c(c(nc(c1[N+](=O)[O-])N)O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1c(c(nc(c1[N+](=O)[O-])N)O)C2C(C(C(O2)COP(=O)(O)O)O)O |
