14364-05-7 (3-[4-(beta-D-吡喃葡萄糖基氧基)苯基]-2-丙烯酸,2-Propenoic acid,3-[4-(b-D-glucopyranosyloxy)phenyl]-)

CAS号:
14364-05-7
中文名称:
3-[4-(beta-D-吡喃葡萄糖基氧基)苯基]-2-丙烯酸
英文名称:
2-Propenoic acid,3-[4-(b-D-glucopyranosyloxy)phenyl]-
分子式:
C15H18O8
分子量:
326.298625469208

3-[4-(beta-D-吡喃葡萄糖基氧基)苯基]-2-丙烯酸(14364-05-7)名称与标识符

名称

中文别名:
3-[4-(beta-D-吡喃葡萄糖基氧基)苯基]-2-丙烯酸;
英文别名:
2-Propenoic acid,3-[4-(b-D-glucopyranosyloxy)phenyl]-;(E)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid;4-(b-D-Glucopyranosyloxy)cinnamic acid;4-O-b-D-Glucopyranosyl-p-coumaricacid;Cinnamicacid, p-(b-D-glucopyranosyloxy)- (6CI,8CI);Glucopyranoside, p-(2-carboxyvinyl)phenyl, b-D- (8CI);Glucosido-p-coumaric acid;p-(Glucosyloxy)cinnamic acid;p-Coumaric acid4-O-b-D-glucopyranoside;p-Coumaricacid b-glucoside;trans-p-Coumaricacid-4-O-b-D-glucopyranoside;p-Coumaric acid 4-O-beta-D-glucopyranoside;p-Coumaric acid glucoside;p-Coumaric acid beta-glucoside;trans-p-Coumaric acid 4-glucoside;2-PROPENOIC ACID, 3-(4-(.BETA.-D-GLUCOPYRANOSYLOXY)PHENYL)-;4-(.BETA.-D-GLUCOPYRANOSYLOXY)CINNAMIC ACID;F94813;e-4-O-beta-d-glucopyranosyl-p-coumaric acid;DTXSID101030453;ACon1_000738;(2E)-3-[4-(beta-D-glucopyranosyloxy)phenyl]prop-2-enoic acid;4-O-beta-D-glucosyl-trans-4-coumaric acid;Q7116889;P-COUMARIC ACID .BETA.-GLUCOSIDE;Coumaric acid O-glucoside;14364-05-7;4-O-.BETA.-D-GLUCOPYRANOSYL-P-COUMARIC ACID;P-COUMARIC ACID 4-O-.BETA.-D-GLUCOPYRANOSIDE;trans-beta-D-glucosyl-4-hydroxycinnamic acid;4-O-[4-(2-carboxyvinyl)phenyl]-beta-D-glucopyranose;AKOS040736222;4-O-.BETA.-D-GLUCOPYRANOSYL CINNAMATE;UNII-7ABG62Y8UG;Coumaric acid 4-O-glucoside;(2E)-3-[4-(beta-D-glucopyranosyloxy)phenyl]acrylic acid;4-O-D-Glucopyranosyl-p-coumaric acid;4-O-beta-D-glucosyl-4-coumaric acid;(E)-3-(4-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)phenyl)acrylic acid;CHEBI:83032;117405-49-9;CHEMBL3978496;2-Propenoic acid, 3-(4-(beta-D-glucopyranosyloxy)phenyl)-;7ABG62Y8UG;SCHEMBL8430469;NCGC00169406-01;4-O-beta-D-glucosyl-4-hydroxycinnamic acid;3-(4-(beta-D-Glucopyranosyloxy)phenyl)-2-propenoic acid;GLUCOPYRANOSIDE, P-(2-CARBOXYVINYL)PHENYL, .BETA.-D-;NCGC00169406-02;CHEBI:17335;MEGxp0_000649;3-(4-(.BETA.-D-GLUCOPYRANOSYLOXY)PHENYL)-2-PROPENOIC ACID;CINNAMIC ACID, P-(.BETA.-D-GLUCOPYRANOSYLOXY)-;C04415;

标识符

InChIKey:
LJFYQZQUAULRDF-FDGSXQGBSA-N
Inchi:
1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-1-8(2-5-9)3-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-3+/t10-,12-,13+,14-,15-/m1/s1
SMILES:
O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O)OC1C=CC(/C=C/C(=O)O)=CC=1

3-[4-(beta-D-吡喃葡萄糖基氧基)苯基]-2-丙烯酸(14364-05-7)物化性质

实验特性

  • 溶解度 : 略溶 (13 g/L) (25 ºC),
  • 密度 : 1.538±0.06 g/cm3 (20 ºC 760 Torr),

计算特性

  • 精确分子量 : 326.10016753g/mol
  • 氢键供体数量 : 5
  • 氢键受体数量 : 8
  • 可旋转化学键数量 : 5
  • 同位素质量 : 326.10016753g/mol
  • 重原子数量 : 23
  • 复杂度 : 418
  • 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 : 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) : 0.1
  • 拓扑分子极性表面积 : 137Ų

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