7RA
Summary
| Name: | 7-ALPHA-D-RIBOFURANOSYL-2-AMINOPURINE-5'-PHOSPHATE |
| Formula: | C10 H14 N5 O7 P |
| Formal charge: | 0 |
| Formula weight: | 347.221 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 7-(5-O-phosphono-alpha-D-ribofuranosyl)-7H-purin-2-amine |
| OpenEye OEToolkits | 1.5.0 | [(2R,3S,4R,5S)-5-(2-aminopurin-7-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)OCC3OC(n2cnc1nc(ncc12)N)C(O)C3O |
| SMILES_CANONICAL | CACTVS | 3.341 | Nc1ncc2n(cnc2n1)[C@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O |
| SMILES | CACTVS | 3.341 | Nc1ncc2n(cnc2n1)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O |
| 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)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1c2c(ncn2C3C(C(C(O3)COP(=O)(O)O)O)O)nc(n1)N |
| InChI | InChI | 1.03 | InChI=1S/C10H14N5O7P/c11-10-12-1-4-8(14-10)13-3-15(4)9-7(17)6(16)5(22-9)2-21-23(18,19)20/h1,3,5-7,9,16-17H,2H2,(H2,11,12,14)(H2,18,19,20)/t5-,6-,7-,9+/m1/s1 |
| InChIKey | InChI | 1.03 | UDRQVOJQMHZSIM-PULFBKJNSA-N |
