13089-19-5 (苯基2-乙酰氨基-3,4,6-三-O-乙酰基-2-脱氧吡喃己糖苷,Phenyl 2-Acetamido-3,4,6-tri-O-acetyl-2-deoxy-a-D-glucopyranoside)

CAS号:
13089-19-5
中文名称:
苯基2-乙酰氨基-3,4,6-三-O-乙酰基-2-脱氧吡喃己糖苷
英文名称:
Phenyl 2-Acetamido-3,4,6-tri-O-acetyl-2-deoxy-a-D-glucopyranoside
分子式:
C20H25NO9
分子量:
423.413806676865

苯基2-乙酰氨基-3,4,6-三-O-乙酰基-2-脱氧吡喃己糖苷(13089-19-5)名称与标识符

名称

中文别名:
2,3,4-三-O-苯甲酰基-ALPHA-D-吡喃葡萄糖醛酸甲酯三氯乙酰亚胺酯;苯基2-乙酰氨基-3,4,6-三-O-乙酰基-2-脱氧吡喃己糖苷;
英文别名:
Phenyl 2-Acetamido-3,4,6-tri-O-acetyl-2-deoxy-α-D-glucopyranoside;Phenyl2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-a-D-glucopyranoside;a-D-Glucopyranoside, phenyl2-(acetylamino)-2-deoxy-, 3,4,6-triacetate;Phenyl 2-Acetamido-3;(diazo-phenyl-methyl)-trimethyl-silane;(trimethylsilyl)phenyldiazomethane;1-Phenyl-1-trimethylsilyldiazomethan;CTK0I7449;Phenyl(trimethylsilyl)diazomethan;phenyl(trimethylsilyl)diazomethane;Phenyl-trimethylsilyl-diazomethan;Silane, (diazophenylmethyl)trimethyl-;Trimethylsilyl-phenyl-diazomethan;Phenyl 2-AcetaMido-2-deoxy-α-D-glucopyranoside Triacetate;Phenyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-a-D-glucopyranoside;Phenyl 2-Acetamido-3,4,6-tri-O-acetyl-2-deoxy-;DTXSID501153493;Phenyl 2-Acetamido-3,4,6-tri-O-acetyl-2-deoxy-?-D-glucopyranoside;[(2R,3S,4R,5R,6R)-5-Acetamido-3,4-diacetyloxy-6-phenoxyoxan-2-yl]methyl acetate;alpha-D-Glucopyranoside, phenyl 2-(acetylamino)-2-deoxy-, 3,4,6-triacetate;W-201040;Phenyl 2-Acetamido-3,4,6-tri-O-acetyl-2-deoxy-alpha-D-glucopyranoside;A-D-glucopyranoside;Phenyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-alpha-D-glucopyranoside?;13089-19-5;I+/--D-Glucopyranoside, phenyl 2-(acetylamino)-2-deoxy-, 3,4,6-triacetate;[(2R,3S,4R,5R,6R)-3,4-BIS(ACETYLOXY)-5-ACETAMIDO-6-PHENOXYOXAN-2-YL]METHYL ACETATE;

标识符

InChIKey:
RTIVQWVVADQPHA-WAPOTWQKSA-N
Inchi:
1S/C20H25NO9/c1-11(22)21-17-19(28-14(4)25)18(27-13(3)24)16(10-26-12(2)23)30-20(17)29-15-8-6-5-7-9-15/h5-9,16-20H,10H2,1-4H3,(H,21,22)/t16-,17-,18-,19-,20+/m1/s1
SMILES:
O1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1COC(C)=O)OC(C)=O)OC(C)=O)NC(C)=O)OC1C=CC=CC=1

苯基2-乙酰氨基-3,4,6-三-O-乙酰基-2-脱氧吡喃己糖苷(13089-19-5)物化性质

实验特性

  • 熔点 : 117-119°C

计算特性

  • 精确分子量 : 423.15293138g/mol
  • 氢键供体数量 : 1
  • 氢键受体数量 : 9
  • 可旋转化学键数量 : 10
  • 同位素质量 : 423.15293138g/mol
  • 重原子数量 : 30
  • 复杂度 : 632
  • 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) : 0.9
  • 拓扑分子极性表面积 : 127Ų

苯基2-乙酰氨基-3,4,6-三-O-乙酰基-2-脱氧吡喃己糖苷(13089-19-5)推荐厂家 更多厂家(1)

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