636-67-9 (2-羟基戊二酸;(±)-,2-Hydroxypentanedioic acid; (±)-form)

CAS号:
636-67-9
中文名称:
2-羟基戊二酸;(±)-
英文名称:
2-Hydroxypentanedioic acid; (±)-form
分子式:
C5H8O5
分子量:
148.114022254944

2-羟基戊二酸;(±)-(636-67-9)名称与标识符

名称

英文别名:
2-Hydroxyglutaric Acid;AKOS027325193;(R)-2-hydroxy-Pentanedioate;Pentanedioic acid, 2-hydroxy-, (2R)-;2-hydroxy-D-Glutarate;D-a-Hydroxyglutarate;2-hydroxy-delta-Glutarate;2-hydroxy-D-Glutaric acid;C01087;D-2-Hydroxyglutaric acid;delta-2-Hydroxyglutarate;SCHEMBL8032;D-Hydroxyglutarate;D-?-Hydroxyglutaric Acid;13095-47-1;(R)-2-Hydroxypentanedioic acid;(R)-2-hydroxyglutaric acid;(R)-alpha-Hydroxyglutaric acid-;UNII-R9UK2G8Y79;(R)-alpha-Hydroxyglutaric acid;Q27104222;(R)-a-Hydroxyglutarate;NS00014810;d-alpha-hydroxyglutaric acid;D-a-Hydroxyglutaric acid;CS-0059411;636-67-9;(2R)-2-hydroxypentanedioic acid;(R)-2-hydroxy-Pentanedioic acid;2-Hydroxyglutaric acid, (R)-;D-;EN300-209542;93397C3E-3CE9-4FEA-A2ED-8F6FA59A1FEA;A-Hydroxyglutaric acid;DTXSID80897218;DA-52756;delta-2-Hydroxyglutaric acid;Glutaric acid, 2-hydroxy-, D-;BS-50252;delta-alpha-Hydroxyglutaric acid;CHEMBL1614745;delta-alpha-Hydroxyglutarate;(R)-alpha-Hydroxyglutarate;CHEBI:32796;(R)-2-Hydroxypentanedioicacid;(R)-(-)-2-Hydroxyglutaric acid;2HG;(R)-a-Hydroxyglutaric acid;2-hydroxy-delta-Glutaric acid;(R)-.ALPHA.-HYDROXYGLUTARIC ACID-;Pentanedioic acid, 2-hydroxy-, (R)-;HY-113038;Z1205493868;(R)-Hydroxyglutarate;D-2-Hydroxyglutarate;R9UK2G8Y79;BDBM50361471;(R)-2-hydroxyglutarate;

标识符

InChIKey:
HWXBTNAVRSUOJR-UHFFFAOYSA-N
Inchi:
1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)
SMILES:
OC(C(=O)O)CCC(=O)O

2-羟基戊二酸;(±)-(636-67-9)物化性质

计算特性

  • 精确分子量 : 148.03717335Da
  • 氢键供体数量 : 3
  • 氢键受体数量 : 5
  • 可旋转化学键数量 : 4
  • 同位素质量 : 148.03717335Da
  • 重原子数量 : 10
  • 复杂度 : 141
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 1
  • 不确定原子立构中心数量 : 0
  • 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) : -1
  • 拓扑分子极性表面积 : 94.8Ų

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