14683-61-5 (8-hydroxyquinoline glucuronide,8-Hydroxyquinoline-b-D-glucuronide)

CAS号:
14683-61-5
中文名称:
8-hydroxyquinoline glucuronide
英文名称:
8-Hydroxyquinoline-b-D-glucuronide
分子式:
C15H15NO7
分子量:
321.282104730606

8-hydroxyquinoline glucuronide(14683-61-5)名称与标识符

名称

中文别名:
8-喹啉基 BETA-D-吡喃葡糖苷酸;8-羟基喹啉葡糖苷酸;淀粉β-蛋白(22-35);8-喹啉基-Β-D-吡喃葡糖苷酸;
英文别名:
b-D-Glucopyranosiduronic acid,8-quinolinyl;8-hydroxyquinoline glucuronide;8-QUINOLINOL GLUCURONIDE;NSC 87518;Brn 0047150;Einecs 238-724-6;8-quinolinylglucuronide;QUINOLYL-8BETA-GLUCURONIC ACID;8-HYDROXYQUINOLINE-BETA-D-GLUCURONIDE;8-Quinolyl β-D-glucopyranosiduronic acid;8-quinolyl-beta-d-glucopyranosiduronicaci;beta-D-Glucopyranosiduronic acid, 8-quinolyl-;beta-D-Glucopyranosiduronic acid, 8-quinolinyl;AY3E5ZM43M;UNII-AY3E5ZM43M;(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(quinolin-8-yloxy)tetrahydro-2H-pyran-2-carboxylic acid;14683-61-5;8-Hydroxyquinolineglucuronide;SCHEMBL154201;8-Hydroxyquinoline-beta-D-glucuronic acid;8-hydroxy-quinolyl-glucuronide;NSC87518;J-008271;Glucopyranosiduronic acid, 8-quinolyl, beta-D-;8-Quinolinyl glucuronide;8-hydroxyquinolyl glucoronide;4-21-00-01163 (Beilstein Handbook Reference);NSC-87518;DTXSID901305751;8-HQG;(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(8-quinolyloxy)tetrahydropyran-2-carboxylic acid;Quinolyl glucuronide;(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-quinolin-8-yloxyoxane-2-carboxylic acid;NS00053499;(2S,3S,4S,5R)-3,4,5-Trihydroxy-6-(quinolin-8-yloxy)tetrahydro-2H-pyran-2-carboxylic acid;8-Quinolyl beta-D-glucopyranosiduronic acid;beta-D-Glucopyranosiduronic acid, 8-quinolinyl (9CI);8-OHQ-GlcA;

标识符

MDL:
MFCD00063949
InChIKey:
DPEGQJDYRIQRHI-DKBOKBLXSA-N
Inchi:
1S/C15H15NO7/c17-10-11(18)13(14(20)21)23-15(12(10)19)22-8-5-1-3-7-4-2-6-16-9(7)8/h1-6,10-13,15,17-19H,(H,20,21)/t10-,11-,12+,13-,15+/m0/s1
SMILES:
O1[C@H](C(=O)O)[C@H]([C@@H]([C@H]([C@@H]1OC1=CC=CC2=CC=CN=C12)O)O)O

8-hydroxyquinoline glucuronide(14683-61-5)物化性质

实验特性

  • LogP : -0.49420
  • PSA : 129.34000
  • 折射率 : 1.717
  • 沸点 : 639.9°Cat760mmHg
  • 闪点 : 340.8°C
  • 溶解度 : 略溶 (12 g/L) (25 ºC),
  • 颜色与性状 : 粉末 淡绿色
  • 密度 : 1.626±0.06 g/cm3 (20 ºC 760 Torr),

计算特性

  • 精确分子量 : 321.08500
  • 氢键供体数量 : 4
  • 氢键受体数量 : 8
  • 可旋转化学键数量 : 3
  • 同位素质量 : 321.085
  • 重原子数量 : 23
  • 复杂度 : 434
  • 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) : 0.3
  • 拓扑分子极性表面积 : 129A^2

8-hydroxyquinoline glucuronide(14683-61-5)安全信息

8-hydroxyquinoline glucuronide(14683-61-5)国际标准相关数据

EINECS:
238-724-6

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