112543-66-5 (尤罗索尼克酸,3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid)

CAS号:
112543-66-5
中文名称:
尤罗索尼克酸
英文名称:
3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid
分子式:
C9H16O9
分子量:
268.217944145203

尤罗索尼克酸(112543-66-5)名称与标识符

名称

中文别名:
尤罗索尼克酸;凯迪恩;
英文别名:
3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid;Ketodeoxynonulosonic acid;3-Deoxy-D-glycero-D-galactononulopyranosonic acid;KDN;2-deoxy-D-glycero-D-galacto-2-nonulosonic acid,ammonium;2-Keto-3-deoxy-D-glycero-D-galacto-nononic acid;3-deoxy-D-glycero-D-galacto-2-*nonulosonic acid A;3-deoxy-D-glycero-D-galacto-nonulosonic acid ammonium salt;ammonium 3-deoxy-D-glycero-D-galacto-2-nonulopyranosonate;Deaminoneuraminic acid;3-Deoxy-D-Glycero-D-Galacto-2-Nonulosonic Acid(KDN);2-keto-3-deoxy-D-glycero-D-galacto-nononic acid ,KDN;2-deoxy-D-glycero-D-galacto-2-nonulosonic acid, ammonium;3-deoxyglycero-galacto-nonulosonic acid;Sialosonic acid;Q27896051;NS00121397;DTXSID201247051;22594-61-2;2-KDN;Deoxy-kdn;3-Deoxyglycerogalacto-2-nonulopyranosonic acid;9672K4U8IW;siaX;(4S,5R,6R,7R,8R)-4,5,6,7,8,9-hexahydroxy-2-oxononanoic acid;2-Oxo-3-deoxy-D-glycero-galactononulosonic acid;SCHEMBL15121303;112543-66-5;CHEBI:176465;4,5,6,7,8,9-HEXAHYDROXY-2-OXO-NONANOIC ACID;3-deoxy-D-glycero-D-galacto-nonulosonic acid;UNII-9672K4U8IW;D-glycero-D-galacto-2-Nonulosonic acid, 3-deoxy-;

标识符

InChIKey:
FQHUAUMYHAJTDH-GRCPKETISA-N
Inchi:
1S/C9H16O9/c10-2-5(13)7(15)8(16)6(14)3(11)1-4(12)9(17)18/h3,5-8,10-11,13-16H,1-2H2,(H,17,18)/t3-,5+,6+,7+,8+/m0/s1
SMILES:
O[C@@H]([C@@H]([C@@H](CO)O)O)[C@@H]([C@H](CC(C(=O)O)=O)O)O

尤罗索尼克酸(112543-66-5)物化性质

实验特性

  • LogP : -4.17300
  • PSA : 175.75000
  • 折射率 : 1.671
  • 熔点 : 26-28°C

计算特性

  • 精确分子量 : 268.07900
  • 氢键供体数量 : 7
  • 氢键受体数量 : 9
  • 可旋转化学键数量 : 8
  • 同位素质量 : 268.079
  • 重原子数量 : 18
  • 复杂度 : 292
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 5
  • 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) : -4.2
  • 拓扑分子极性表面积 : 176A^2

尤罗索尼克酸(112543-66-5)安全信息

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