600-37-3 (2-羟基-3-甲基丁酸,(+/-)-alpha-hydroxyisovaleric acid)

CAS号:
600-37-3
中文名称:
2-羟基-3-甲基丁酸
英文名称:
(+/-)-alpha-hydroxyisovaleric acid
分子式:
C5H10O3
分子量:
118.131102085114

2-羟基-3-甲基丁酸(600-37-3)名称与标识符

名称

中文别名:
(+/-)-α-羟基异戊酸;2-羟基-3-甲基丁酸;
英文别名:
(+/-)-alpha-hydroxyisovaleric acid;(+-)-ALPHA-HYDROXYISOVALERIC ACID;D-3-methyl-2-hydroxybutyric acid;AKOS016182980;EINECS 223-697-5;(R)-2-Hydroxyisovaleric acid;D-alpha-Hydroxyisovaleric acid;(+/-)-.ALPHA.-HYDROXYISOVALERIC ACID;2-Hydroxyisopentanoate;AMY22056;NSC-227884;UNII-02X1W97FWN;2-Hydroxy-3-methylbutyric acid, 99%;NS00014672;PD099517;BCP33333;DL-2-Hydroxyisovalerate;2-Hydroxy-3-methylbutanoic acid #;(1)-2-Hydroxy-3-methylbutyric acid;DB-021168;Q27104874;(RS)-2-hydroxyisovaleric acid;DL-2-Hydroxy-3-methylbutanoic acid;A-hydroxyisovaleric acid;s6098;CHEBI:60645;SCHEMBL43434;2-Hydroxy-3-methylbutyric acid;MFCD00004242;alpha-hydroxyisovalerate;InChI=1/C5H10O3/c1-3(2)4(6)5(7)8/h3-4,6H,1-2H3,(H,7,8);SY066296;DTXSID10863305;2-Hydroxyisopentanoic acid;L-Valic acid;Butanoic acid,2-hydroxy-3-methyl-,(2R)-;3-Methyl-2-hydroxybutyrate;(+/-)-2-HYDROXYISOVALERIC ACID;(+/-)-2-HYDROXYISOPENTANOIC ACID;(+/-)-2-Hydroxy-3-methylbutyric acid;NGEWQZIDQIYUNV-UHFFFAOYSA-;DL-2-Hydroxyisovaleric acid;DL-a-hydroxyisovaleric acid;2-Hydroxyisovalerate;HY-W008150;AKOS000278106;600-37-3;CS-W008150;3-Methyl-2-hydroxybutyric acid;CHEMBL1162479;DL-alpha-hydroxyisovaleric acid;DB-293121;alpha-hydroxyisovaleric acid;AS-12349;2-Hydroxy-3-methylbutanoicacid;DL-a-hydroxyisovalerate;3-methyl-2-oxidanyl-butanoic acid;BUTYRIC ACID, 2-HYDROXY-3-METHYL-;AB88448;DL-.ALPHA.-HYDROXYISOVALERIC ACID;2-Hydroxyisovaleric acid;A-hydroxyisovalerate;BCP33335;2-Hydroxy-3-methyl butyric acid;2-Hydroxy-3-methylbutanoic acid;D-Valic acid;EN300-115018;EINECS 209-994-2;NSC227884;A825017;02X1W97FWN;4026-18-0;.ALPHA.-HYDROXYISOVALERIC ACID;2-Oxyisovaleric acid;LMFA01050478;NSC 227884;DL-2-Hydroxy-3-methylbutanoate;F19720;SY041974;2-Oxyisovalerate;Butanoic acid, 2-hydroxy-3-methyl-;W-106368;DL-alpha-hydroxyisovalerate;

标识符

InChIKey:
NGEWQZIDQIYUNV-UHFFFAOYSA-N
Inchi:
1S/C5H10O3/c1-3(2)4(6)5(7)8/h3-4,6H,1-2H3,(H,7,8)
SMILES:
OC(C(=O)O)C(C)C

2-羟基-3-甲基丁酸(600-37-3)物化性质

实验特性

  • PSA : 57.53

计算特性

  • 精确分子量 : 118.063
  • 氢键供体数量 : 2
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 2
  • 同位素质量 : 118.062994177g/mol
  • 重原子数量 : 8
  • 复杂度 : 87.7
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 1
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 0.5
  • 拓扑分子极性表面积 : 57.5Ų