90754-57-7 (苄基2-乙酰氨基-2-脱氧-3-O-(2,3,4,6-四-O-乙酰基己糖吡喃糖苷)吡喃己糖苷,Benzyl 2-Acetamido-2-deoxy-3-O-(2’,3’,4’,6’-tetra- O-acetyl-β-D-galactopyranosyl)-α-D-galactopyranoside)

CAS号:
90754-57-7
中文名称:
苄基2-乙酰氨基-2-脱氧-3-O-(2,3,4,6-四-O-乙酰基己糖吡喃糖苷)吡喃己糖苷
英文名称:
Benzyl 2-Acetamido-2-deoxy-3-O-(2’,3’,4’,6’-tetra- O-acetyl-β-D-galactopyranosyl)-α-D-galactopyranoside
分子式:
C29H39NO15
分子量:
641.617670297623

苄基2-乙酰氨基-2-脱氧-3-O-(2,3,4,6-四-O-乙酰基己糖吡喃糖苷)吡喃己糖苷(90754-57-7)名称与标识符

名称

中文别名:
苄基2-乙酰氨基-2-脱氧-3-O-(2,3,4,6-四-O-乙酰基己糖吡喃糖苷)吡喃己糖苷;2-乙酰氨基-3-O-(2,3,4,6-四-O-乙酰基-Β-D-吡喃半乳糖基)-2-脱氧-Α-D-吡喃半乳糖苷;
英文别名:
Benzyl 2-Acetamido-2-deoxy-3-O-(2',3',4',6'-tetra- O-acetyl-β-D-galactopyranosyl)-α-D-galactopyranoside;Benzyl 2-Acetamido-2-deoxy-3-O-(2’,3’,4’,6’-tetra- O-acetyl-β-D-galactopyranosyl)-α-D-galactopyranoside;Benzyl 2-Acetamido-2-deoxy-3-O-(2’,3’,4’,6’-tetra- O-acetyl-β-D-galactopyranosyl)-α-D-galactopyranos;a-D-Galactopyranoside,phenylmethyl 2-(acetylamino)-2-deoxy-3-O-(2,3,4,6-tetra-O-acetyl-b-D-gal...;a-D-Galactopyranoside,phenylmethyl 2-(acetylamino)-2-deoxy-3-O-(2,3,4,6-tetra-O-acetyl-b-D-galactopyranosyl)-;BENZYL 2-ACETAMIDO-2-DEOXY-3-O-(2’,3’,4’,6’-TETRA- O-ACETYL-B-D-GALACTOPYRANOSYL)-A-D-GALACTOPYRANOSIDE;Benzyl2-acetamido-3-O-(2,3,4,6-tetra-O-acetyl-b-D-galactopyranosyl)-2-deoxy-a-D-galactopyranoside;1-(benzyloxycarbonylamino)-2,2,2-trifluoroethanol;2,2,2-Trifluor-1-hydroxy-N-benzyloxycarbonyl-ethylamin;benzyl(2,2,2-trifluoro-1-hydroxyethyl)carbamate;Benzyl-N-(2,2,2-trifluor-1-hydroxyethyl)-carbamat;Benzyl 2-acetamido-3-O-(2,3,4,6-tetra-O-acetyl-b-D-galactopyranosyl)-2-deoxy-a-D-galactopyranoside;A-D-galactopyranoside;Benzyl 2-Acetamido-2-deoxy-3-O-(2',3',4',6'-tetra- O-acetyl-?-D-galactopyranosyl)-?-D-galactopyranoside;A-D-galactopyranosyl)-;90754-57-7;W-204039;Benzyl 2-Acetamido-2-deoxy-3-O-(2 inverted exclamation mark ,3 inverted exclamation mark ,4 inverted exclamation mark ,6 inverted exclamation mark -tetra- O-acetyl-;benzyl 2-acetamido-2-deoxy-3-O-(2,3,4,6-tetra-O-acetyl-beta-d-galactopyranosyl)-alpha-d-galactopyranoside;Benzyl 2-acetamido-2-deoxy-3-O-(2',3',4',6'-tetra-O-acetyl-beta-D-galactopyranosyl)-alpha-D-galactopyranoside;Benzyl 2-Acetamido-2-deoxy-3-O-(2',3',4',6'-tetra- O-acetyl-beta-D-galactopyranosyl)-alpha-D-galactopyranos;[(2R,3S,4S,5R,6R)-6-[(2R,3R,4R,5R,6S)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxy-3,4,5-triacetyloxyoxan-2-yl]methyl acetate;

标识符

InChIKey:
HWDXXTUCTSBEQC-JTLQHPAOSA-N
Inchi:
1S/C29H39NO15/c1-14(32)30-22-25(23(37)20(11-31)43-28(22)39-12-19-9-7-6-8-10-19)45-29-27(42-18(5)36)26(41-17(4)35)24(40-16(3)34)21(44-29)13-38-15(2)33/h6-10,20-29,31,37H,11-13H2,1-5H3,(H,30,32)/t20-,21-,22-,23+,24+,25-,26+,27-,28+,29+/m1/s1
SMILES:
O([C@H]1[C@@H]([C@H]([C@H]([C@@H](COC(C)=O)O1)OC(C)=O)OC(C)=O)OC(C)=O)[C@H]1[C@H]([C@@H](CO)O[C@@H]([C@@H]1NC(C)=O)OCC1C=CC=CC=1)O

苄基2-乙酰氨基-2-脱氧-3-O-(2,3,4,6-四-O-乙酰基己糖吡喃糖苷)吡喃己糖苷(90754-57-7)物化性质

实验特性

  • LogP : -0.35480
  • PSA : 211.68000
  • 折射率 : 1.556
  • 沸点 : 770.093°C at 760 mmHg
  • 闪点 : 419.538°C
  • 溶解度 : Choroform, Dichloromethane, DMSO
  • 密度 : 1.374

计算特性

  • 精确分子量 : 641.23200
  • 氢键供体数量 : 3
  • 氢键受体数量 : 15
  • 可旋转化学键数量 : 16
  • 同位素质量 : 641.23196954g/mol
  • 重原子数量 : 45
  • 复杂度 : 1030
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 10
  • 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) : -0.4
  • 拓扑分子极性表面积 : 212Ų

苄基2-乙酰氨基-2-脱氧-3-O-(2,3,4,6-四-O-乙酰基己糖吡喃糖苷)吡喃己糖苷(90754-57-7)推荐厂家 更多厂家(4)

苄基2-乙酰氨基-2-脱氧-3-O-(2,3,4,6-四-O-乙酰基己糖吡喃糖苷)吡喃己糖苷(90754-57-7)上下游

苄基2-乙酰氨基-2-脱氧-3-O-(2,3,4,6-四-O-乙酰基己糖吡喃糖苷)吡喃己糖苷(90754-57-7)参考资料

Reaxys RN:
PubChem CID: