Obsolete: A1P
Summary
| Name: | 9-{2-DEOXY-5-O-[HYDROXY(OXIDO)PHOSPHINO]-BETA-L-ERYTHRO-PENTOFURANOSYL}-9H-PURIN-2-AMINE |
| Formula: | C10 H14 N5 O5 P |
| Formal charge: | 0 |
| Formula weight: | 315.222 Da |
| Component type: | DNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 9-{2-deoxy-5-O-[(S)-hydroxy(oxido)phosphanyl]-beta-D-erythro-pentofuranosyl}-9H-purin-2-amine |
| OpenEye OEToolkits | 1.5.0 | [(2R,3S,5R)-5-(2-aminopurin-9-yl)-3-hydroxy-oxolan-2-yl]methoxyphosphinic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)OCC3OC(n2cnc1cnc(nc12)N)CC3O |
| SMILES_CANONICAL | CACTVS | 3.341 | Nc1ncc2ncn([C@H]3C[C@H](O)[C@@H](CO[P@H](O)=O)O3)c2n1 |
| SMILES | CACTVS | 3.341 | Nc1ncc2ncn([CH]3C[CH](O)[CH](CO[PH](O)=O)O3)c2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c2c(nc(n1)N)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@@H](=O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1c2c(nc(n1)N)n(cn2)C3CC(C(O3)COP(=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H14N5O5P/c11-10-12-2-5-9(14-10)15(4-13-5)8-1-6(16)7(20-8)3-19-21(17)18/h2,4,6-8,16,21H,1,3H2,(H,17,18)(H2,11,12,14)/t6-,7+,8+/m0/s1 |
| InChIKey | InChI | 1.03 | XHZLYOLDUZBSPU-XLPZGREQSA-N |
