T48
Summary
| Name: | 6'-ALPHA-HYDROXY CARBOCYCLIC THYMIDINE 5'-MONOPHOSPHATE |
| 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 | [(1R,2S,3S,5S)-2,5-dihydroxy-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)cyclopentyl]methyl dihydrogen phosphate |
| OpenEye OEToolkits | 1.5.0 | [(1R,2S,3S,5S)-2,5-dihydroxy-3-(5-methyl-2,4-dioxo-pyrimidin-1-yl)cyclopentyl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)OCC2C(O)C(N1C=C(C(=O)NC1=O)C)CC2O |
| SMILES_CANONICAL | CACTVS | 3.341 | CC1=CN([C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)[C@@H]2O)C(=O)NC1=O |
| SMILES | CACTVS | 3.341 | CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)[CH]2O)C(=O)NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H]([C@@H]2O)COP(=O)(O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1=CN(C(=O)NC1=O)C2CC(C(C2O)COP(=O)(O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H17N2O8P/c1-5-3-13(11(17)12-10(5)16)7-2-8(14)6(9(7)15)4-21-22(18,19)20/h3,6-9,14-15H,2,4H2,1H3,(H,12,16,17)(H2,18,19,20)/t6-,7+,8+,9+/m1/s1 |
| InChIKey | InChI | 1.03 | XBCGTBYCRNQMDB-XGEHTFHBSA-N |
