IPT
概要
| 表記: | 1-methylethyl 1-thio-beta-D-galactopyranoside |
| 別名: | ISOPROPYL-1-BETA-D-THIOGALACTOSIDE 1-(ISOPROPYLTHIO)-BETA-GALACTOPYRANSIDE; 1-methylethyl 1-thio-beta-D-galactoside; 1-methylethyl 1-thio-D-galactoside; 1-methylethyl 1-thio-galactoside |
| 組成式: | C9 H18 O5 S |
| 電荷: | 0 |
| 化学式量: | 238.301 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 | 1-methylethyl 1-thio-beta-D-galactopyranoside |
| OpenEye OEToolkits | 1.5.0 | (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-propan-2-ylsulfanyl-oxane-3,4,5-triol |
| PDB-CARE | 1.0 | isopropyl-1-b-D-thiogalactoside |
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 | S(C(C)C)C1OC(C(O)C(O)C1O)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |
| SMILES | CACTVS | 3.341 | CC(C)S[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)SC1C(C(C(C(O1)CO)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H18O5S/c1-4(2)15-9-8(13)7(12)6(11)5(3-10)14-9/h4-13H,3H2,1-2H3/t5-,6+,7+,8-,9+/m1/s1 |
| InChIKey | InChI | 1.03 | BPHPUYQFMNQIOC-NXRLNHOXSA-N |
