103674-69-7 (甲基(5xi)-2,3,4-三-O-苯甲酰基-alpha-D-来苏-吡喃己酮糖苷酸酯溴化物,Bromo-2,3,4-tri-O-benzoyl-a-D-glucuronic Acid Methyl)

CAS号:
103674-69-7
中文名称:
甲基(5xi)-2,3,4-三-O-苯甲酰基-alpha-D-来苏-吡喃己酮糖苷酸酯溴化物
英文名称:
Bromo-2,3,4-tri-O-benzoyl-a-D-glucuronic Acid Methyl
分子式:
C28H23BrO9
分子量:
583.380828142166

甲基(5xi)-2,3,4-三-O-苯甲酰基-alpha-D-来苏-吡喃己酮糖苷酸酯溴化物(103674-69-7)名称与标识符

名称

中文别名:
甲基(5xi)-2,3,4-三-O-苯甲酰基-alpha-D-来苏-吡喃己酮糖苷酸酯溴化物;1-溴-2,3,4-三-O-苯甲酰基-Α-D-葡糖苷酸甲酯;
英文别名:
Bromo-2,3,4-tri-O-benzoyl-α-D-glucuronic Acid Methyl Ester;2,3,4-Tri-O-benzoyl-;2,3,4-Tri-O-benzoyl-5-bromo-α-D-glucuronic Acid Methyl EsterDiscontinued see product # B688353;a-D-Glucopyranuronic acid,1-bromo-1-deoxy-, methyl ester, 2,3,4-tribenzoate;1-Bromo-2,3,4-tri-O-benzoyl-a-D-glucuronide methyl ester;methyl (2,3,4-tri-O-benzoyl-α-D-glucopyranosyl)uronate bromide;methyl tri-O-benzoyl-1-bromo-α-D-glucopyranuronate;O2,O3,O4-Tribenzoyl-1-brom-1-desoxy-α-D-glucuronsaeure-methylester;Bromo-2,3,4-tri-O-benzoyl-a-D-glucuronic Acid Methyl Ester;Methyl (2,3,4-Tri-O-benzoyl-α-D-glucopyranosyl bromide)uronate;Methyl (2,3,4-Tri-O-benzoyl-a-D-glucopyranosyl bromide)uronate;1-Bromo-1-deoxy-2,3,4-tribenzoate a-D-Glucopyranuronic Acid Methyl Ester;1-Bromo-1-deoxy-2,3,4-tribenzoate α-D-Glucopyranuronic Acid Methyl Ester;2,3,4-Tri-O-benzoyl-5-bromo-?-D-glucuronic Acid Methyl Ester;Bromo-2,3,4-tri-O-benzoyl-?-D-glucuronic Acid Methyl;103674-69-7;(2R,3R,4S,5S,6S)-2-Bromo-6-(methoxycarbonyl)tetrahydro-2H-pyran-3,4,5-triyl Tribenzoate;W-200704;Bromo-2,3,4-tri-O-benzoyl-a-D-glucuronic Acid Methyl;Methyl (2S,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-bromooxane-2-carboxylate;METHYL (2S,3S,4S,5R,6R)-3,4,5-TRIBENZOYLOXY-6-BROMO-TETRAHYDROPYRAN-2-CARBOXYLATE;G79665;

标识符

MDL:
MFCD15144945
InChIKey:
KXTNIKNREDJJSO-LKTXNROYSA-N
Inchi:
1S/C28H23BrO9/c1-34-28(33)23-21(37-26(31)18-13-7-3-8-14-18)20(36-25(30)17-11-5-2-6-12-17)22(24(29)35-23)38-27(32)19-15-9-4-10-16-19/h2-16,20-24H,1H3/t20-,21-,22+,23-,24-/m0/s1
SMILES:
Br[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](C(=O)OC)O1)OC(C1C=CC=CC=1)=O)OC(C1C=CC=CC=1)=O)OC(C1C=CC=CC=1)=O

甲基(5xi)-2,3,4-三-O-苯甲酰基-alpha-D-来苏-吡喃己酮糖苷酸酯溴化物(103674-69-7)物化性质

实验特性

  • LogP : 3.95600
  • PSA : 114.43000
  • 折射率 : 1.627
  • 沸点 : Not available
  • 熔点 : 90-93°C
  • 蒸气压 : Not available
  • 闪点 : Not available
  • 溶解度 : Chloroform (Slightly), Methanol (Slightly, Heated)
  • 颜色与性状 : No data available
  • 稳定性 : Acid Sensitive, Temperature Sensitive
  • 密度 : Not available

计算特性

  • 精确分子量 : 582.05300
  • 氢键供体数量 : 0
  • 氢键受体数量 : 9
  • 可旋转化学键数量 : 11
  • 同位素质量 : 582.05254g/mol
  • 重原子数量 : 38
  • 复杂度 : 830
  • 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) : 5.6
  • 拓扑分子极性表面积 : 114Ų

甲基(5xi)-2,3,4-三-O-苯甲酰基-alpha-D-来苏-吡喃己酮糖苷酸酯溴化物(103674-69-7)推荐厂家 更多厂家(9)