ChemSpider 2D Image | 1-{[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]oxy}-4-{[(2Z)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy}-3,5-dihydroxycyclohexanecarboxylic acid | C25H24O12

1-{[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]oxy}-4-{[(2Z)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy}-3,5-dihydroxycyclohexanecarboxylic acid

  • Molecular FormulaC25H24O12
  • Average mass516.451 Da
  • Monoisotopic mass516.126770 Da
  • ChemSpider ID32757655
  • Double-bond stereo - Double-bond stereo


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-{[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]oxy}-4-{[(2Z)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy}-3,5-dihydroxycyclohexancarbonsäure [German] [ACD/IUPAC Name]
1-{[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]oxy}-4-{[(2Z)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy}-3,5-dihydroxycyclohexanecarboxylic acid [ACD/IUPAC Name]
Acide 1-{[(2E)-3-(3,4-dihydroxyphényl)-2-propenoyl]oxy}-4-{[(2Z)-3-(3,4-dihydroxyphényl)-2-propenoyl]oxy}-3,5-dihydroxycyclohexanecarboxylique [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 1-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-4-[[(2Z)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-3,5-dihydroxy- [ACD/Index Name]
3,4-Dihydrocinnamic acid, 1-carboxy-4,5-dihydroxy-1,3-cyclohexylene ester
Cinnamic acid, 3,4-dihydroxy-,1-carboxy-3,5-dihydroxy-1,4-cyclohexylene ester
Cyclohexanecarboxylic acid, 1,4-bis[[3-(3,4-dihydroxyphenyl) -1-oxo-2-propenyl]oxy]-3,5-dihydroxy-, (1α,3α,4α,5β)-

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 843.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.4±3.0 kJ/mol
Flash Point: 286.3±27.8 °C
Index of Refraction: 1.719
Molar Refractivity: 123.9±0.4 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 1.37
ACD/LogD (pH 5.5): -1.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 211 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 103.9±5.0 dyne/cm
Molar Volume: 314.0±5.0 cm3

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