ChemSpider 2D Image | 3,5-Bis{[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy}-4-({[(E)-2-(3,4-dihydroxyphenyl)vinyl]oxy}carbonyl)-1-hydroxycyclohexanecarboxylic acid | C34H30O15

3,5-Bis{[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy}-4-({[(E)-2-(3,4-dihydroxyphenyl)vinyl]oxy}carbonyl)-1-hydroxycyclohexanecarboxylic acid

  • Molecular FormulaC34H30O15
  • Average mass678.593 Da
  • Monoisotopic mass678.158447 Da
  • ChemSpider ID9853912

  • Double-bond stereo - Double-bond stereo

More details:

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

1,4-Cyclohexanedicarboxylic acid, 3,5-bis[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1-hydroxy-, 4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl] ester [ACD/Index Name]
3,5-Bis{[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy}-4-({[(E)-2-(3,4-dihydroxyphenyl)vinyl]oxy}carbonyl)-1-hydroxycyclohexancarbonsäure [German] [ACD/IUPAC Name]
3,5-Bis{[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy}-4-({[(E)-2-(3,4-dihydroxyphenyl)vinyl]oxy}carbonyl)-1-hydroxycyclohexanecarboxylic acid [ACD/IUPAC Name]
Acide 3,5-bis{[(2E)-3-(3,4-dihydroxyphényl)-2-propenoyl]oxy}-4-({[(E)-2-(3,4-dihydroxyphényl)vinyl]oxy}carbonyl)-1-hydroxycyclohexanecarboxylique [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 990.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 151.2±3.0 kJ/mol
Flash Point: 315.5±27.8 °C
Index of Refraction: 1.737
Molar Refractivity: 165.8±0.4 cm3
#H bond acceptors: 15
#H bond donors: 8
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 3.37
ACD/LogD (pH 5.5): 0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.68
ACD/LogD (pH 7.4): -1.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 258 Å2
Polarizability: 65.7±0.5 10-24cm3
Surface Tension: 105.9±5.0 dyne/cm
Molar Volume: 412.4±5.0 cm3

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