A1IXI
Summary
| Name: | 9-deazaguanosine-5'-monophosphate |
| Synonyms: | [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-4-oxidanyl-5~{H}-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate |
| Formula: | C11 H15 N4 O8 P |
| Formal charge: | 0 |
| Formula weight: | 362.233 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-4-oxidanyl-5~{H}-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H15N4O8P/c12-11-14-5-3(1-13-6(5)10(18)15-11)9-8(17)7(16)4(23-9)2-22-24(19,20)21/h1,4,7-9,13,16-17H,2H2,(H2,19,20,21)(H3,12,14,15,18)/t4-,7-,8-,9-/m1/s1 |
| InChIKey | InChI | 1.06 | OHDNVDXQRZLJEP-XCBZGROMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1nc(O)c2[nH]cc([C@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O)c2n1 |
| SMILES | CACTVS | 3.385 | Nc1nc(O)c2[nH]cc([CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O)c2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(c2c([nH]1)c(nc(n2)N)O)[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(c2c([nH]1)c(nc(n2)N)O)C3C(C(C(O3)COP(=O)(O)O)O)O |
