103
Summary
| Name: | 2',5'-DIDEOXY-ADENOSINE 3'-MONOPHOSPHATE |
| Formula: | C10 H14 N5 O5 P |
| Formal charge: | 0 |
| Formula weight: | 315.222 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2',5'-dideoxy-3'-adenylic acid |
| OpenEye OEToolkits | 1.5.0 | [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-methyl-oxolan-3-yl] dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)OC3C(OC(n2cnc1c(ncnc12)N)C3)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@H]1O[C@H](C[C@@H]1O[P](O)(O)=O)n2cnc3c(N)ncnc23 |
| SMILES | CACTVS | 3.341 | C[CH]1O[CH](C[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2ncnc3N)OP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1C(CC(O1)n2cnc3c2ncnc3N)OP(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H14N5O5P/c1-5-6(20-21(16,17)18)2-7(19-5)15-4-14-8-9(11)12-3-13-10(8)15/h3-7H,2H2,1H3,(H2,11,12,13)(H2,16,17,18)/t5-,6+,7-/m1/s1 |
| InChIKey | InChI | 1.03 | NFGZMOICZSFFLB-DSYKOEDSSA-N |
