6HC
Summary
| Name: | 1',5'-ANHYDRO-2',3'-DIDEOXY-2'-(CYTOSIN-1-YL)-6'-O-PHOSPHORYL-D-ARABINO-HEXITOL |
| Formula: | C10 H16 N3 O7 P |
| Formal charge: | 0 |
| Formula weight: | 321.224 Da |
| Component type: | DNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-(4-amino-2-oxopyrimidin-1(2H)-yl)-1,5-anhydro-2,3-dideoxy-6-O-phosphono-D-arabino-hexitol |
| OpenEye OEToolkits | 1.5.0 | [(2R,3S,5S)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-oxan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1N=C(N)C=CN1C2CC(O)C(OC2)COP(=O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | NC1=NC(=O)N(C=C1)[C@@H]2CO[C@H](CO[P](O)(O)=O)[C@@H](O)C2 |
| SMILES | CACTVS | 3.341 | NC1=NC(=O)N(C=C1)[CH]2CO[CH](CO[P](O)(O)=O)[CH](O)C2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1[C@@H](CO[C@@H]([C@H]1O)COP(=O)(O)O)N2C=CC(=NC2=O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1C(COC(C1O)COP(=O)(O)O)N2C=CC(=NC2=O)N |
| InChI | InChI | 1.03 | InChI=1S/C10H16N3O7P/c11-9-1-2-13(10(15)12-9)6-3-7(14)8(19-4-6)5-20-21(16,17)18/h1-2,6-8,14H,3-5H2,(H2,11,12,15)(H2,16,17,18)/t6-,7-,8+/m0/s1 |
| InChIKey | InChI | 1.03 | YMMHAKLJCAQJRS-BIIVOSGPSA-N |
