3495-27-0 ((4R)-4,5-Dihydroxy-2-oxopentanoic acid,(4r)-4,5-dihydroxy-2-oxopentanoic Acid)

CAS号:
3495-27-0
中文名称:
(4R)-4,5-Dihydroxy-2-oxopentanoic acid
英文名称:
(4r)-4,5-dihydroxy-2-oxopentanoic Acid
分子式:
C5H8O5
分子量:
148.114022254944

(4R)-4,5-Dihydroxy-2-oxopentanoic acid(3495-27-0)名称与标识符

名称

中文别名:
(4R)-4,5-Dihydroxy-2-oxopentanoic acid;
英文别名:
(4r)-4,5-dihydroxy-2-oxopentanoic Acid;(R)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridinyl-6-carboxylic acid;1H-Imidazo[4,5-c]pyridine-6-carboxylicacid, 4,5,6,7-tetrahydro-, (R)-;AG-E-37989;AC1LU6KM;CTK0H1391;(R)-4,5,6,7-Tetrahydro-1H-imidazo[4,5-d]pyridine-6-carboxylic acid;3H-Imidazo[4,5-c]pyridine-6-carboxylicacid, 4,5,6,7-tetrahydro-, (6R)-;D-Spinacine;SureCN9582230;(R)-4,5-dihydroxy-2-oxopentanoic acid;1H-Imidazo[4,5-c]pyridine-6-carboxylicacid, 4,5,6,7-tetrahydro-, (6R)- (9CI);(R)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridinyl-6-carboxylic acid; 1H-Imidazo[4,5-c]pyridine-6-carboxylicacid, 4,5,6,7-tetrahydro-, (R)-; AG-E-37989; AC1LU6KM; CTK0H1391; (R)-4,5,6,7-Tetrahydro-1H-imidazo[4,5-d]pyridine-6-carboxylic acid; 3H-Imidazo[4,5-c]pyridine-6-carboxylicacid, 4,5,6,7-tetrahydro-, (6R)-; D-Spinacine; SureCN9582230; (R)-4,5-dihydroxy-2-oxopentanoic acid; 1H-Imidazo[4,5-c]pyridine-6-carboxylicacid, 4,5,6,7-tetrahydro-,;C00684;EN300-4745953;3495-27-0;2-dehydro-3-deoxy-L-arabinonic acid;2-dehydro-3-deoxy-L-pentonic acid;SCHEMBL15819973;LMFA01050476;3-deoxy-L-pent-2-ulosonic acid;CHEBI:17647;DTXSID20956414;Q27102500;Pentanoic acid, 4,5-dihydroxy-2-oxo-, (R)-;3-Deoxy-L-glycero-pentulosonic acid;2-Dehydro-3-deoxy-L-pentonate;3-deoxy-l-glyceropentulosonic acid;

标识符

InChIKey:
UQIGQRSJIKIPKZ-GSVOUGTGSA-N
Inchi:
1S/C5H8O5/c6-2-3(7)1-4(8)5(9)10/h3,6-7H,1-2H2,(H,9,10)/t3-/m1/s1
SMILES:
O[C@@H](CO)CC(C(=O)O)=O

(4R)-4,5-Dihydroxy-2-oxopentanoic acid(3495-27-0)物化性质

实验特性

  • PSA : 94.83

计算特性

  • 精确分子量 : 148.03714
  • 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 : 148.03717335g/mol
  • 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) : -1.7
  • 拓扑分子极性表面积 : 94.8Ų