GYP
概要
| 表記: | methyl alpha-D-glucopyranoside |
| 別名: | METHYL-ALPHA-D-GLUCOPYRANOSIDE ALPHA-METHYL-D-GLUCOPYRANOSIDE; methyl alpha-D-glucoside; methyl D-glucoside; methyl glucoside |
| 組成式: | C7 H14 O6 |
| 電荷: | 0 |
| 化学式量: | 194.182 Da |
| 分子種別: | D-saccharide |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 10.04 | methyl alpha-D-glucopyranoside |
| OpenEye OEToolkits | 1.5.0 | (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-methoxy-oxane-3,4,5-triol |
| GMML | 1.0 | DGlcp[1Me]a |
| GMML | 1.0 | 1-methyl-a-D-glucopyranose |
| PDB-CARE | 1.0 | methyl-a-D-glucopyranoside |
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 | OC1C(O)C(O)C(OC1OC)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
| SMILES | CACTVS | 3.341 | CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | COC1C(C(C(C(O1)CO)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6-,7+/m1/s1 |
| InChIKey | InChI | 1.03 | HOVAGTYPODGVJG-ZFYZTMLRSA-N |
