7RP
Summary
| Name: | 7-ALPHA-D-RIBOFURANOSYL-PURINE-5'-PHOSPHATE |
| Formula: | C10 H13 N4 O7 P |
| Formal charge: | 0 |
| Formula weight: | 332.207 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 7-(5-O-phosphono-alpha-D-ribofuranosyl)-7H-purine |
| OpenEye OEToolkits | 1.5.0 | [(2R,3S,4R,5S)-3,4-dihydroxy-5-purin-7-yl-oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)OCC3OC(n2cnc1ncncc12)C(O)C3O |
| SMILES_CANONICAL | CACTVS | 3.341 | O[C@H]1[C@@H](O)[C@H](O[C@@H]1CO[P](O)(O)=O)n2cnc3ncncc23 |
| SMILES | CACTVS | 3.341 | O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3ncncc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c2c(ncn1)ncn2[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1c2c(ncn1)ncn2C3C(C(C(O3)COP(=O)(O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H13N4O7P/c15-7-6(2-20-22(17,18)19)21-10(8(7)16)14-4-13-9-5(14)1-11-3-12-9/h1,3-4,6-8,10,15-16H,2H2,(H2,17,18,19)/t6-,7-,8-,10+/m1/s1 |
| InChIKey | InChI | 1.03 | NICKPTPNIMHUHB-DQUBFYRCSA-N |
