128376-90-9 (柚皮苷二氢查尔酮,Tetracosanamide,N-[2-hydroxy-1-[[(O-a-D-mannopyranosyl-(1®3)-O-[b-D-xylopyranosyl-(1®2)]-O-b-D-mannopyranosyl-(1®4)-b-D-glucopyranosyl)oxy]methyl]-3-heptadecenyl]-, [R-[R*,S*-(E)]]- (9CI))

CAS号:
128376-90-9
中文名称:
柚皮苷二氢查尔酮
英文名称:
Tetracosanamide,N-[2-hydroxy-1-[[(O-a-D-mannopyranosyl-(1®3)-O-[b-D-xylopyranosyl-(1®2)]-O-b-D-mannopyranosyl-(1®4)-b-D-glucopyranosyl)oxy]methyl]-3-heptadecenyl]-, [R-[R*,S*-(E)]]- (9CI)
分子式:
C65H121NO22
分子量:
1268.64976382256

柚皮苷二氢查尔酮(128376-90-9)名称与标识符

名称

中文别名:
柚皮苷二氢查尔酮;
英文别名:
N-[(E)-1-[3,4-dihydroxy-5-[5-hydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoctadec-;O-mannopyranosyl-(1-3)-O-xylopyranosyl-(1-2)-O-mannopyranosyl-(1-4)-O-glucopyranosyl-(1-1)-2-N-tetracosanoylsphingenine;2)]-O-b-D-mannopyranosyl-(1®4)-b-D-glucopyranosyl)oxy]methyl]-3-heptadecenyl]-, [R-[R*,S*-(E)]]- (9CI);alpha-D-Manp-(1-3)-beta-D-xylp-(1-2)-beta-D-manp-(1-4)-beta-D-glcp-(1-1)-cer;Mxmgcer;N-[(3E)-1-({[hexopyranosyl-(1->3)-[pentopyranosyl-(1->2)]hexopyranosyl-(1->4)hexopyranosyl]oxy}methyl)-2-hydroxyheptadec-3-en-1-yl]tetracosanamide;N-[(E)-1-[3,4-dihydroxy-5-[5-hydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoctadec-4-en-2-yl]tetracosanamide;128376-90-9;O-mannopyranosyl-(1-3)-O-xylopyranosyl-(1-2)-O-mannopyranosyl-(1-4)-O-glucopyranosyl-(1-1)-2-N-tetra;

标识符

InChIKey:
XDWZRGWUGSQHEW-MHAUTQJVSA-N
Inchi:
1S/C65H121NO22/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-50(72)66-44(45(70)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2)42-81-62-58(80)55(77)59(49(41-69)85-62)86-65-61(88-63-56(78)51(73)46(71)43-82-63)60(53(75)48(40-68)84-65)87-64-57(79)54(76)52(74)47(39-67)83-64/h35,37,44-49,51-65,67-71,73-80H,3-34,36,38-43H2,1-2H3,(H,66,72)/b37-35+
SMILES:
O1C(CO)C(C(C(C1OC1C(CO)OC(C(C1O)O)OCC(C(/C=C/CCCCCCCCCCCCC)O)NC(CCCCCCCCCCCCCCCCCCCCCCC)=O)OC1C(C(C(CO1)O)O)O)OC1C(C(C(C(CO)O1)O)O)O)O

柚皮苷二氢查尔酮(128376-90-9)物化性质

实验特性

  • PSA : 365.93
  • 折射率 : 1.562
  • 沸点 : 1250.5°C at 760 mmHg
  • 闪点 : 710.1°C
  • 密度 : 1.23

计算特性

  • 精确分子量 : 1267.83833
  • 氢键供体数量 : 14
  • 氢键受体数量 : 22
  • 可旋转化学键数量 : 49
  • 同位素质量 : 1267.838025
  • 重原子数量 : 88
  • 复杂度 : 1760
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 21
  • 确定化学键立构中心数量 : 1
  • 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) : 10.3
  • 互变异构体数量 : 2
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 366

柚皮苷二氢查尔酮(128376-90-9)推荐厂家 更多厂家(1)

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