ARI
概要
| 表記: | (2R,3R,6R)-6-hydroxy-2-methyltetrahydro-2H-pyran-3-yl acetate |
| 別名: | [O4]-ACETOXY-2,3-DIDEOXYFUCOSE |
| 組成式: | C8 H14 O4 |
| 電荷: | 0 |
| 化学式量: | 174.194 Da |
| 分子種別: | D-saccharide, beta linking |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 10.04 | (2R,3R,6R)-6-hydroxy-2-methyltetrahydro-2H-pyran-3-yl acetate |
| OpenEye OEToolkits | 1.5.0 | [(2R,3R,6R)-6-hydroxy-2-methyl-oxan-3-yl] ethanoate |
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=C(OC1C(OC(O)CC1)C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@H]1O[C@@H](O)CC[C@H]1OC(C)=O |
| SMILES | CACTVS | 3.341 | C[CH]1O[CH](O)CC[CH]1OC(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H]1[C@@H](CC[C@@H](O1)O)OC(=O)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1C(CCC(O1)O)OC(=O)C |
| InChI | InChI | 1.03 | InChI=1S/C8H14O4/c1-5-7(12-6(2)9)3-4-8(10)11-5/h5,7-8,10H,3-4H2,1-2H3/t5-,7-,8-/m1/s1 |
| InChIKey | InChI | 1.03 | NNWBJOVUTCFRGH-LPBLVHEISA-N |
