5-溴-4-氯-3-吲哚基-beta-D-葡糖苷酸钠

CAS号
129541-41-9 ;370100-64-4
CCD编号
CCD00263125
分子式
C14 H12 Br Cl N O7 . Na . 3 H2 O
分子量
498.64

基本信息

产品名称: 5-溴-4-氯-3-吲哚基-beta-D-葡糖苷酸钠
CAS: 129541-41-9 ;370100-64-4
中文同义词: 5-溴-4-氯-3-吲哚基-beta-D-葡糖苷酸钠
英文同义词: X-BETA-D-GLCUA NA 3H2O ; X-BETA-D-GLUCURONIDE SODIUM SALT TRIHYDRATE ; X-GLUCURO SODIUM SALT TRIHYDRATE ; X-GLCA ; 5-BROMO-4-CHLORO-3-INDOLYL-BETA-D-GLUCURONIC ACID SODIUM SALT TRIHYDRATE ; 5-BROMO-4-CHLORO-3-INDOXYL-BETA-D-GLUCURONIC ACID, SODIUM SALT TRIHYDRATE ; 5-BROMO-4-CHLORO-3-INDOLYL-B-D-GLUCURONIC ACID SODIUM SALT TRIHYDRATE ; 5-BROMO-4-CHLORO-3-INDOLYL BETA-D-GLUCURONIDE SODIUM SALT TRIHYDRATE
MDL号: MFCD01861962
氢键受体数量: 8
氢键供体数量: 4
Smile: c1cc(c(c2c1[nH]cc2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O)Cl)Br.O.O.O.[Na+]
InChi: InChI=1S/C14H13BrClNO7.Na.3H2O/c15-4-1-2-5-7(8(4)16)6(3-17-5)23-14-11(20)9(18)10(19)12(24-14)13(21)22;;;;/h1-3,9-12,14,17-20H,(H,21,22);;3*1H2/q;+1;;;/p-1/t9-,10-,11+,12-,14+;;;;/m0..../s1
InChiKey: InChIKey=KSEGXDRRKCCCGG-BTCNKGGSSA-M

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