P2P
Summary
| Name: | N7-(5'-PHOSPHO-ALPHA-RIBOSYL)-2-HYDROXYPURINE |
| Synonyms: | PHOSPHORIC ACID MONO-[3,4-DIHYDROXY-5-(5-HYDROXY-BENZOIMIDAZOL-1-YL)TETRAHYDRO-FURAN-2-YLMETHYL] ESTER |
| Formula: | C10 H13 N4 O8 P |
| Formal charge: | 0 |
| Formula weight: | 348.206 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 7-(5-O-phosphono-alpha-D-ribofuranosyl)-7H-purin-2-ol |
| OpenEye OEToolkits | 1.5.0 | [(2R,3S,4R,5S)-3,4-dihydroxy-5-(2-hydroxypurin-7-yl)oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)OCC3OC(n2cnc1nc(O)ncc12)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)n2cnc3nc(O)ncc23 |
| SMILES | CACTVS | 3.341 | O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3nc(O)ncc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c2c(ncn2[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)nc(n1)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1c2c(ncn2C3C(C(C(O3)COP(=O)(O)O)O)O)nc(n1)O |
| InChI | InChI | 1.03 | InChI=1S/C10H13N4O8P/c15-6-5(2-21-23(18,19)20)22-9(7(6)16)14-3-12-8-4(14)1-11-10(17)13-8/h1,3,5-7,9,15-16H,2H2,(H,11,13,17)(H2,18,19,20)/t5-,6-,7-,9+/m1/s1 |
| InChIKey | InChI | 1.03 | BVZASCINAVSQNO-PULFBKJNSA-N |
