1,2,3-Butanetriol, 3-methyl-, 1-(4-methylbenzenesulfonate), (R)- | 77522-15-7
1,2,3-Butanetriol, 3-methyl-, 1-(4-methylbenzenesulfonate), (R)-
77522-15-7
C12H18O5S
274.333323001862
名称和标识符
InChIKey |
QAAVLHVZKTUTCM-LLVKDONJSA-N |
Inchi |
1S/C12H18O5S/c1-9-4-6-10(7-5-9)18(15,16)17-8-11(13)12(2,3)14/h4-7,11,13-14H,8H2,1-3H3/t11-/m1/s1 |
SMILES |
C(OS(C1=CC=C(C)C=C1)(=O)=O)[C@@H](O)C(C)(O)C |
别名信息
- 英文别名 -
- 1,2,3-Butanetriol, 3-methyl-, 1-(4-methylbenzenesulfonate), (R)-
- (2R)-3-methylbutane-1,2,3-triol 1-p-toluenesulfonate
- (R)-(+)-2,3-dihydroxy-3-methylbutyl p-toluenesulphonate
- (R)-2,3-dihydroxy-3-methylbutyl 4-toluenesulfonate
- (R)-2,3-dihydroxy-3-methylbutyl p-toluenesulfonate
- (R)-2,3-dihydroxy-3-methylbutyl toluene-p-sulfonate
- (R)-3-methyl-1-(p-toluenesulphonyl)oxybutane-2,3-diol
- 1,2,3-Butanetriol, 3-methyl-, 1-(4-methylbenzenesulfonate), (2R)-
物化性质
实验特性
LogP |
1.91290 |
PSA |
92.21000 |
沸点 |
462.3±40.0 °C(Predicted) |
酸度系数(pKa) |
13.56±0.20(Predicted) |
密度 |
1.274±0.06 g/cm3(Predicted) |
计算特性