A38
Summary
| Name: | 8-OXY DEOXYADENOSINE-5'-MONOPHOSPHATE |
| Formula: | C10 H14 N5 O7 P |
| Formal charge: | 0 |
| Formula weight: | 347.221 Da |
| Component type: | DNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2'-deoxy-8-oxoadenosine 5'-(dihydrogen phosphate) |
| OpenEye OEToolkits | 1.5.0 | [(2R,3S,5R)-5-(6-amino-8-oxo-7H-purin-9-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C2Nc1c(ncnc1N2C3OC(C(O)C3)COP(=O)(O)O)N |
| SMILES_CANONICAL | CACTVS | 3.341 | Nc1ncnc2N([C@H]3C[C@H](O)[C@@H](CO[P](O)(O)=O)O3)C(=O)Nc12 |
| SMILES | CACTVS | 3.341 | Nc1ncnc2N([CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3)C(=O)Nc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1nc(c2c(n1)N(C(=O)N2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1nc(c2c(n1)N(C(=O)N2)C3CC(C(O3)COP(=O)(O)O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C10H14N5O7P/c11-8-7-9(13-3-12-8)15(10(17)14-7)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H,14,17)(H2,11,12,13)(H2,18,19,20)/t4-,5+,6+/m0/s1 |
| InChIKey | InChI | 1.03 | QFGWDFAYOAGQDH-KVQBGUIXSA-N |
