A43
Summary
| Name: | 3'-AMINO DEOXYADENOSINE 5'-MONOPHOSPHATE |
| Formula: | C10 H15 N6 O5 P |
| Formal charge: | 0 |
| Formula weight: | 330.237 Da |
| Component type: | DNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3'-amino-2',3'-dideoxyadenosine 5'-(dihydrogen phosphate) |
| OpenEye OEToolkits | 1.5.0 | [(2S,3S,5R)-3-amino-5-(6-aminopurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)CC3N |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)n2cnc3c(N)ncnc23 |
| SMILES | CACTVS | 3.341 | N[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2cnc3c(N)ncnc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)N)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1nc(c2c(n1)n(cn2)C3CC(C(O3)COP(=O)(O)O)N)N |
| InChI | InChI | 1.03 | InChI=1S/C10H15N6O5P/c11-5-1-7(21-6(5)2-20-22(17,18)19)16-4-15-8-9(12)13-3-14-10(8)16/h3-7H,1-2,11H2,(H2,12,13,14)(H2,17,18,19)/t5-,6+,7+/m0/s1 |
| InChIKey | InChI | 1.03 | CQMGILZSAPHZQF-RRKCRQDMSA-N |
