3DO
概要
| 表記: | 3-deoxy-beta-D-glucopyranose |
| 別名: | 3-deoxy-beta-D-ribo-hexopyranose 3-deoxy-beta-D-glucose; 3-deoxy-D-glucose; 3-deoxy-glucose |
| 組成式: | C6 H12 O5 |
| 電荷: | 0 |
| 化学式量: | 164.156 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 | 3-deoxy-beta-D-ribo-hexopyranose |
| OpenEye OEToolkits | 1.7.6 | (2R,3R,5S,6R)-6-(hydroxymethyl)oxane-2,3,5-triol |
| GMML | 1.0 | DGlcp[3H]b |
| GMML | 1.0 | 3-deoxy-b-D-glucopyranose |
| PDB-CARE | 1.0 | a-D-3-deoxy-Glcp |
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 | OC1C(OC(O)C(O)C1)CO |
| InChI | InChI | 1.03 | InChI=1S/C6H12O5/c7-2-5-3(8)1-4(9)6(10)11-5/h3-10H,1-2H2/t3-,4+,5+,6+/m0/s1 |
| InChIKey | InChI | 1.03 | RJDIFQMDPPUATQ-SLPGGIOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H]1O[C@@H](O)[C@H](O)C[C@@H]1O |
| SMILES | CACTVS | 3.385 | OC[CH]1O[CH](O)[CH](O)C[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1[C@@H]([C@H](O[C@H]([C@@H]1O)O)CO)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1C(C(OC(C1O)O)CO)O |
