RMP
Summary
| Name: | 2'-DEOXY-ADENOSINE-5'-RP-MONOMETHYLPHOSPHONATE |
| Formula: | C11 H16 N5 O5 P |
| Formal charge: | 0 |
| Formula weight: | 329.249 Da |
| Component type: | DNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2'-deoxy-5'-O-[(S)-hydroxy(methyl)phosphoryl]adenosine |
| OpenEye OEToolkits | 1.5.0 | [(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-oxolan-2-yl]methoxy-methyl-phosphinic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(OCC3OC(n2cnc1c(ncnc12)N)CC3O)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[P@@](O)(=O)OC[C@H]1O[C@H](C[C@@H]1O)n2cnc3c(N)ncnc23 |
| SMILES | CACTVS | 3.341 | C[P](O)(=O)OC[CH]1O[CH](C[CH]1O)n2cnc3c(N)ncnc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[P@](=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2ncnc3N)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CP(=O)(O)OCC1C(CC(O1)n2cnc3c2ncnc3N)O |
| InChI | InChI | 1.03 | InChI=1S/C11H16N5O5P/c1-22(18,19)20-3-7-6(17)2-8(21-7)16-5-15-9-10(12)13-4-14-11(9)16/h4-8,17H,2-3H2,1H3,(H,18,19)(H2,12,13,14)/t6-,7+,8+/m0/s1 |
| InChIKey | InChI | 1.03 | YNCYIAAXFUCITC-XLPZGREQSA-N |
