11019-08-2 ((1H,3H-Pyrano[3,4-c]pyran-1-one,5-ethenyl-5,6-dihydro-6-[(2,3,4,6-tetra-O-acetyl-b-D-glucopyranosyl)oxy]-, (5R,6S)- (9CI))

CAS号:
11019-08-2
英文名称:
1H,3H-Pyrano[3,4-c]pyran-1-one,5-ethenyl-5,6-dihydro-6-[(2,3,4,6-tetra-O-acetyl-b-D-glucopyranosyl)oxy]-, (5R,6S)- (9CI)
分子式:
C24H28O13
分子量:
524.471328735352

1H,3H-Pyrano[3,4-c]pyran-1-one,5-ethenyl-5,6-dihydro-6-[(2,3,4,6-tetra-O-acetyl-b-D-glucopyranosyl)oxy]-, (5R,6S)- (9CI)(11019-08-2)名称与标识符

名称

英文别名:
1H,3H-Pyrano[3,4-c]pyran-1-one,5-ethenyl-5,6-dihydro-6-[(2,3,4,6-tetra-O-acetyl-b-D-glucopyranosyl)oxy]-, (5R,6S)- (9CI);(5R-trans)-5,6-dihydro-6-[(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy]-5-vinyl-1H,3H-pyrano[3,4-c]pyran-1-one;(5R-trans)-5,6-Dihydro-6-((2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy)-5-vinyl-1H,3H-pyrano(3,4-c)pyran-1-one;5-ethenyl-1-oxo-5,6-dihydro-1H,3H-pyrano[3,4-c]pyran-6-yl 2,3,4,6-tetra-O-acetyl-beta-D-allopyranoside;(5R)-5β-Ethenyl-5,6-dihydro-6α-(2-O,3-O,4-O,6-O-tetraacetyl-β-D-glucopyranosyloxy)-1H,3H-pyrano[3,4-c]pyran-1-one;EINECS 234-250-9;DTXSID60911527;5-Ethenyl-1-oxo-5,6-dihydro-1H,3H-pyrano[3,4-c]pyran-6-yl 2,3,4,6-tetra-O-acetylhexopyranoside;11019-08-2;[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[(4-ethenyl-8-oxo-4,6-dihydro-3H-pyrano[3,4-c]pyran-3-yl)oxy]oxan-2-yl]methyl acetate;

标识符

InChIKey:
DQTBHYIUQDHMTL-MEKIBXELSA-N
Inchi:
1S/C24H28O13/c1-6-15-16-7-8-30-22(29)17(16)9-32-23(15)37-24-21(35-14(5)28)20(34-13(4)27)19(33-12(3)26)18(36-24)10-31-11(2)25/h6-7,9,15,18-21,23-24H,1,8,10H2,2-5H3/t15?,18-,19-,20+,21-,23?,24+/m1/s1
SMILES:
O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1COC(C)=O)OC(C)=O)OC(C)=O)OC(C)=O)OC1C(C=C)C2=CCOC(C2=CO1)=O

1H,3H-Pyrano[3,4-c]pyran-1-one,5-ethenyl-5,6-dihydro-6-[(2,3,4,6-tetra-O-acetyl-b-D-glucopyranosyl)oxy]-, (5R,6S)- (9CI)(11019-08-2)物化性质

实验特性

  • 折射率 : 1.54
  • 沸点 : 639°Cat760mmHg
  • 闪点 : 272°C
  • 密度 : 1.36

计算特性

  • 精确分子量 : 524.153
  • 氢键供体数量 : 0
  • 氢键受体数量 : 13
  • 可旋转化学键数量 : 12
  • 同位素质量 : 524.153
  • 重原子数量 : 37
  • 复杂度 : 1010
  • 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 : 2
  • 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) : 0.5
  • 拓扑分子极性表面积 : 159Ų