5OC
Summary
| Name: | 2'-deoxy-5-hydroxycytidine 5'-(dihydrogen phosphate) |
| Formula: | C9 H14 N3 O8 P |
| Formal charge: | 0 |
| Formula weight: | 323.197 Da |
| Component type: | DNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2'-deoxy-5-hydroxycytidine 5'-(dihydrogen phosphate) |
| OpenEye OEToolkits | 1.7.2 | [(2R,3S,5R)-5-(4-azanyl-5-oxidanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-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(N)C(O)=C1)CC2O |
| InChI | InChI | 1.03 | InChI=1S/C9H14N3O8P/c10-8-5(14)2-12(9(15)11-8)7-1-4(13)6(20-7)3-19-21(16,17)18/h2,4,6-7,13-14H,1,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6+,7+/m0/s1 |
| InChIKey | InChI | 1.03 | IHMAXICTBCXOER-UBKIQSJTSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | NC1=NC(=O)N(C=C1O)[C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)O2 |
| SMILES | CACTVS | 3.370 | NC1=NC(=O)N(C=C1O)[CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)O)COP(=O)(O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.2 | C1C(C(OC1N2C=C(C(=NC2=O)N)O)COP(=O)(O)O)O |
