CAS 17407-55-5|CAS 17407-56-6|2-hydroxyisopentanoic acid|(2R)-2-Hydroxy-3-methylbutyric acid|(2S)-(+)-2-Hydroxy-3-methylbutanoic acid|(2S)-(+)-2-Hydroxy-3-methylbutyric acid|L-alpha-Hydroxyisovaleri...

基本信息

化学结构

分子式

C₅H₁₀O₃

分子量

118.1311

精确质量

118.06299418

电荷

InChI

InChI=1S/C5H10O3/c1-3(2)4(6)5(7)8/h3-4,6H,1-2H3,(H,7,8)/t4-/m0/s1

InChIKey

NGEWQZIDQIYUNV-BYPYZUCNSA-N

Canonic Smiles

O[C@H](C(=O)O)C(C)C

Isomeric Smiles

O=C(O)[C@H](C(C)C)O

计算属性

JChem

LogD (pH = 7.4)

-2.66

LogD (pH = 5.5)

-0.96

Log P

0.42

可自由旋转的化学键

质子供体

质子受体

里宾斯基五规则

true

Acid pKa

4.14

极化表面积

57.53

极化性

11.78

摩尔折射率

27.84

LOG S

-0.54

数据来源

名称和标识

IUPAC传统名

2-hydroxyisopentanoic acid α-hydroxyisovaleric acid

别名

(2R)-2-Hydroxy-3-methylbutyric acid(2S)-(+)-2-Hydroxy-3-methylbutanoic acid(2S)-(+)-2-Hydroxy-3-methylbutyric acidL-alpha-Hydroxyisovaleric acidD-alpha-Hydroxyisovaleric acid(S)-(+)-2-羟基-3-甲基丁酸(S)-(+)-2-Hydroxy-3-methylbutyric acidL-α-Hydroxyisovaleric acidL-α-羟基异戊酸(2R)-2-Hydroxy-3-methylbutanoic acid 97%(S)-(+)-2-HYDROXY-3-METHYLBUTYRIC ACID(S)-(+)-2-羟基-3-甲基丁酸L-α-Hydroxyisovaleric acidL-α-羟基异戊酸(S)-2-Hydroxy-3-methylbutyric acidL-(+)-alpha-hydroxyisovaleric acid2-hydroxy-3-methyl-(S)-(+)-butyric acidL-(+)-2-hydroxyisovaleric acid2-HydroxyisovalerateA-hydroxyisovaleric acid(S)-(+)-2-hydroxy-3-methylbutyric acid(S)-(+)-2-hydroxy-3-methylbutanoic acid(S)-2-hydroxy-3-methylbutyric acid2-Oxyisovalerate

IUPAC标准名

(2S)-2-hydroxy-3-methylbutanoic acid

名称和标识

数据登录号

CAS号

17407-55-517407-56-6

PubChem SID

16204300724863611103158551

PubChem CID

853180

Beilstein号

1721140