DRI
概要
| 表記: | 2,6-dideoxy-4-O-methyl-beta-D-glucopyranose |
| 別名: | 4-O-METHYL-2,6-DIDEOXY-BETA-D-GLUCOSE 4-O-METHYL-2,6-DIDEOXY-BETA-D-MANNOSE; 2,6-dideoxy-4-O-methyl-beta-D-glucose; 2,6-dideoxy-4-O-methyl-D-glucose; 2,6-dideoxy-4-O-methyl-glucose |
| 組成式: | C7 H14 O4 |
| 電荷: | 0 |
| 化学式量: | 162.184 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 | 2,6-dideoxy-4-O-methyl-beta-D-arabino-hexopyranose |
| OpenEye OEToolkits | 1.5.0 | (2R,4R,5S,6R)-5-methoxy-6-methyl-oxane-2,4-diol |
| PDB-CARE | 1.0 | b-D-2,6-deoxy-Glcp4OMe |
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(C1C(OC(O)CC1O)C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CO[C@@H]1[C@@H](C)O[C@@H](O)C[C@H]1O |
| SMILES | CACTVS | 3.341 | CO[CH]1[CH](C)O[CH](O)C[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H]1[C@H]([C@@H](C[C@@H](O1)O)O)OC |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1C(C(CC(O1)O)O)OC |
| InChI | InChI | 1.03 | InChI=1S/C7H14O4/c1-4-7(10-2)5(8)3-6(9)11-4/h4-9H,3H2,1-2H3/t4-,5-,6-,7-/m1/s1 |
| InChIKey | InChI | 1.03 | CDRBUGSWTNDUSM-DBRKOABJSA-N |
