DI
Summary
| Name: | 2'-DEOXYINOSINE-5'-MONOPHOSPHATE |
| Formula: | C10 H13 N4 O7 P |
| Formal charge: | 0 |
| Formula weight: | 332.207 Da |
| Component type: | DNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 2'-deoxy-5'-inosinic acid |
| OpenEye OEToolkits | 3.1.0.0 | [(2~{R},3~{S},5~{R})-3-oxidanyl-5-(6-oxidanylidene-1~{H}-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=P(O)(O)OCC1OC(CC1O)n1cnc2c1N=CNC2=O |
| InChI | InChI | 1.06 | InChI=1S/C10H13N4O7P/c15-5-1-7(21-6(5)2-20-22(17,18)19)14-4-13-8-9(14)11-3-12-10(8)16/h3-7,15H,1-2H2,(H,11,12,16)(H2,17,18,19)/t5-,6+,7+/m0/s1 |
| InChIKey | InChI | 1.06 | PHNGFPPXDJJADG-RRKCRQDMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)n2cnc3C(=O)NC=Nc23 |
| SMILES | CACTVS | 3.385 | O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2cnc3C(=O)NC=Nc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=CNC2=O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1nc2c(n1C3CC(C(O3)COP(=O)(O)O)O)N=CNC2=O |
