NOH
Summary
| Name: | 2'-deoxy-N-hydroxycytidine 5'-(dihydrogen phosphate) |
| Formula: | C9 H14 N3 O8 P |
| Formal charge: | 0 |
| Formula weight: | 323.197 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2'-deoxy-N-hydroxycytidine 5'-(dihydrogen phosphate) |
| OpenEye OEToolkits | 1.7.6 | [(2R,3S,5R)-3-oxidanyl-5-[4-(oxidanylamino)-2-oxidanylidene-pyrimidin-1-yl]oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)OCC2OC(N1C(=O)N=C(NO)C=C1)CC2O |
| InChI | InChI | 1.03 | InChI=1S/C9H14N3O8P/c13-5-3-8(20-6(5)4-19-21(16,17)18)12-2-1-7(11-15)10-9(12)14/h1-2,5-6,8,13,15H,3-4H2,(H,10,11,14)(H2,16,17,18)/t5-,6+,8+/m0/s1 |
| InChIKey | InChI | 1.03 | YKOWBJJOJNGCAD-SHYZEUOFSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | ONC1=NC(=O)N(C=C1)[C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)O2 |
| SMILES | CACTVS | 3.370 | ONC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)NO)COP(=O)(O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1C(C(OC1N2C=CC(=NC2=O)NO)COP(=O)(O)O)O |
