2M5
概要
| 表記: | methyl 7-deoxy-L-glycero-alpha-D-manno-heptopyranoside |
| 別名: | methyl 7-deoxy-L-glycero-alpha-D-manno-heptoside methyl 7-deoxy-L-glycero-D-manno-heptoside; methyl 7-deoxy-L-glycero-manno-heptoside |
| 組成式: | C8 H16 O6 |
| 電荷: | 0 |
| 化学式量: | 208.209 Da |
| 分子種別: | D-saccharide |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | methyl 7-deoxy-L-glycero-alpha-D-manno-heptopyranoside |
| OpenEye OEToolkits | 1.7.0 | (2R,3S,4S,5S,6S)-2-[(1S)-1-hydroxyethyl]-6-methoxy-oxane-3,4,5-triol |
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(O)C(O)C(OC1OC)C(O)C |
| SMILES_CANONICAL | CACTVS | 3.370 | CO[C@H]1O[C@H]([C@H](C)O)[C@@H](O)[C@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.370 | CO[CH]1O[CH]([CH](C)O)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C[C@@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC)O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(C1C(C(C(C(O1)OC)O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H16O6/c1-3(9)7-5(11)4(10)6(12)8(13-2)14-7/h3-12H,1-2H3/t3-,4-,5-,6-,7+,8-/m0/s1 |
| InChIKey | InChI | 1.03 | PNWOVLBMFHSUMR-IHKZFYOVSA-N |
