6HT
Summary
| Name: | 1',5'-ANHYDRO-2',3'-DIDEOXY-2'-(THYMIN-1-YL)-6'-O-PHOSPHORYL-D-ARABINO-HEXITOL |
| Formula: | C11 H17 N2 O8 P |
| Formal charge: | 0 |
| Formula weight: | 336.235 Da |
| Component type: | DNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1,5-anhydro-2,3-dideoxy-2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-6-O-phosphono-D-arabino-hexitol |
| OpenEye OEToolkits | 1.5.0 | [(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1NC(=O)N(C=C1C)C2CC(O)C(OC2)COP(=O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | CC1=CN([C@@H]2CO[C@H](CO[P](O)(O)=O)[C@@H](O)C2)C(=O)NC1=O |
| SMILES | CACTVS | 3.341 | CC1=CN([CH]2CO[CH](CO[P](O)(O)=O)[CH](O)C2)C(=O)NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](OC2)COP(=O)(O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1=CN(C(=O)NC1=O)C2CC(C(OC2)COP(=O)(O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H17N2O8P/c1-6-3-13(11(16)12-10(6)15)7-2-8(14)9(20-4-7)5-21-22(17,18)19/h3,7-9,14H,2,4-5H2,1H3,(H,12,15,16)(H2,17,18,19)/t7-,8-,9+/m0/s1 |
| InChIKey | InChI | 1.03 | CCUHDSVZYOGFIW-XHNCKOQMSA-N |
