T32
概要
| 表記: | 6'-ALPHA-METHYL CARBOCYCLIC THYMIDINE 5'-MONOPHOSPHATE |
| 組成式: | C12 H19 N2 O7 P |
| 電荷: | 0 |
| 化学式量: | 334.262 Da |
| 分子種別: | DNA LINKING |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 10.04 | [(1R,2S,3S,5S)-5-hydroxy-2-methyl-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)-5-hydroxy-2-methyl-3-(5-methyl-2,4-dioxo-pyrimidin-1-yl)cyclopentyl]methyl dihydrogen phosphate |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)OCC2C(C(N1C=C(C(=O)NC1=O)C)CC2O)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@H]1[C@H](CO[P](O)(O)=O)[C@@H](O)C[C@@H]1N2C=C(C)C(=O)NC2=O |
| SMILES | CACTVS | 3.341 | C[CH]1[CH](CO[P](O)(O)=O)[CH](O)C[CH]1N2C=C(C)C(=O)NC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H]1[C@H](C[C@@H]([C@H]1COP(=O)(O)O)O)N2C=C(C(=O)NC2=O)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1C(CC(C1COP(=O)(O)O)O)N2C=C(C(=O)NC2=O)C |
| InChI | InChI | 1.03 | InChI=1S/C12H19N2O7P/c1-6-4-14(12(17)13-11(6)16)9-3-10(15)8(7(9)2)5-21-22(18,19)20/h4,7-10,15H,3,5H2,1-2H3,(H,13,16,17)(H2,18,19,20)/t7-,8-,9-,10-/m0/s1 |
| InChIKey | InChI | 1.03 | LAMPGVURVUFMOO-XKNYDFJKSA-N |
