XAD
Summary
| Name: | 9-(2,3-DIDEOXY-6-O-PHOSPHONO-BETA-D-ERYTHRO-HEXOPYRANOSYL)-9H-PURIN-6-AMINE |
| Synonyms: | 2',3'-DI-DEOXY-BETA-D-GLUCOPYRANOSYL ADENINE |
| Formula: | C11 H16 N5 O6 P |
| Formal charge: | 0 |
| Formula weight: | 345.248 Da |
| Component type: | DNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 9-(2,3-dideoxy-6-O-phosphono-beta-D-erythro-hexopyranosyl)-9H-purin-6-amine |
| OpenEye OEToolkits | 1.5.0 | [(2R,3S,6R)-6-(6-aminopurin-9-yl)-3-hydroxy-oxan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)OCC3OC(n1cnc2c(ncnc12)N)CCC3O |
| SMILES_CANONICAL | CACTVS | 3.341 | Nc1ncnc2n(cnc12)[C@H]3CC[C@H](O)[C@@H](CO[P](O)(O)=O)O3 |
| SMILES | CACTVS | 3.341 | Nc1ncnc2n(cnc12)[CH]3CC[CH](O)[CH](CO[P](O)(O)=O)O3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1nc(c2c(n1)n(cn2)[C@H]3CC[C@@H]([C@H](O3)COP(=O)(O)O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1nc(c2c(n1)n(cn2)C3CCC(C(O3)COP(=O)(O)O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C11H16N5O6P/c12-10-9-11(14-4-13-10)16(5-15-9)8-2-1-6(17)7(22-8)3-21-23(18,19)20/h4-8,17H,1-3H2,(H2,12,13,14)(H2,18,19,20)/t6-,7+,8+/m0/s1 |
| InChIKey | InChI | 1.03 | NNMDAQXJNWKVBU-XLPZGREQSA-N |
