CPR
Summary
| Name: | 6-CHLOROPURINE RIBOSIDE, 5'-MONOPHOSPHATE |
| Formula: | C10 H13 Cl N4 O7 P |
| Formal charge: | 1 |
| Formula weight: | 367.66 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 6-chloro-9-(5-O-phosphono-beta-D-ribofuranosyl)-9H-purin-1-ium |
| OpenEye OEToolkits | 1.5.0 | [(2R,3S,4R,5R)-5-(6-chloropurin-1-ium-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc1c2ncn(c2nc[nH+]1)C3OC(C(O)C3O)COP(=O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)n2cnc3c(Cl)[nH+]cnc23 |
| SMILES | CACTVS | 3.341 | O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3c(Cl)[nH+]cnc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1[nH+]c(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)Cl |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1[nH+]c(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)Cl |
| InChI | InChI | 1.03 | InChI=1S/C10H12ClN4O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,18,19,20)/p+1/t4-,6-,7-,10-/m1/s1 |
| InChIKey | InChI | 1.03 | ALOBOMYIOYNCBS-KQYNXXCUSA-O |
