2GL
概要
| 表記: | 4-O-acetyl-2,6-dideoxy-beta-D-galactopyranose |
| 別名: | 4-O-ACETYL-2,6-DIDEOXY-ALPHA-D-GALACTO-HEXOPYRANOSE 4-O-acetyl-2,6-dideoxy-beta-D-galactose; 4-O-acetyl-2,6-dideoxy-D-galactose; 4-O-acetyl-2,6-dideoxy-galactose |
| 組成式: | C8 H14 O5 |
| 電荷: | 0 |
| 化学式量: | 190.194 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 | 12.01 | 4-O-acetyl-2,6-dideoxy-beta-D-lyxo-hexopyranose |
| OpenEye OEToolkits | 1.7.6 | [(2R,3R,4R,6R)-2-methyl-4,6-bis(oxidanyl)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 | 12.01 | O=C(OC1C(OC(O)CC1O)C)C |
| InChI | InChI | 1.03 | InChI=1S/C8H14O5/c1-4-8(13-5(2)9)6(10)3-7(11)12-4/h4,6-8,10-11H,3H2,1-2H3/t4-,6-,7-,8+/m1/s1 |
| InChIKey | InChI | 1.03 | VJCDYXNEQSTOMG-JBBNEOJLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1O[C@@H](O)C[C@@H](O)[C@H]1OC(C)=O |
| SMILES | CACTVS | 3.385 | C[CH]1O[CH](O)C[CH](O)[CH]1OC(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@@H]1[C@@H]([C@@H](C[C@@H](O1)O)O)OC(=O)C |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC1C(C(CC(O1)O)O)OC(=O)C |
