C42
Summary
| Name: | 3'-AMINO-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE |
| Formula: | C9 H15 N4 O6 P |
| Formal charge: | 0 |
| Formula weight: | 306.212 Da |
| Component type: | DNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3'-amino-2',3'-dideoxycytidine 5'-(dihydrogen phosphate) |
| OpenEye OEToolkits | 1.5.0 | [(2S,3S,5R)-3-amino-5-(4-amino-2-oxo-pyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1N=C(N)C=CN1C2OC(C(N)C2)COP(=O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)N2C=CC(=NC2=O)N |
| SMILES | CACTVS | 3.341 | N[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2C=CC(=NC2=O)N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C9H15N4O6P/c10-5-3-8(13-2-1-7(11)12-9(13)14)19-6(5)4-18-20(15,16)17/h1-2,5-6,8H,3-4,10H2,(H2,11,12,14)(H2,15,16,17)/t5-,6+,8+/m0/s1 |
| InChIKey | InChI | 1.03 | DLMWQJIDSZFHEV-SHYZEUOFSA-N |
