ChemSpider 2D Image | (2R)-2-({(2E)-3-[3,4-Bis(benzyloxy)phenyl]-2-propenoyl}oxy)-3-(3,4-dimethoxyphenyl)propanoic acid | C34H32O8

(2R)-2-({(2E)-3-[3,4-Bis(benzyloxy)phenyl]-2-propenoyl}oxy)-3-(3,4-dimethoxyphenyl)propanoic acid

  • Molecular FormulaC34H32O8
  • Average mass568.613 Da
  • Monoisotopic mass568.209717 Da
  • ChemSpider ID29416085

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-({(2E)-3-[3,4-Bis(benzyloxy)phenyl]-2-propenoyl}oxy)-3-(3,4-dimethoxyphenyl)propanoic acid [ACD/IUPAC Name]
(2R)-2-({(2E)-3-[3,4-Bis(benzyloxy)phenyl]-2-propenoyl}oxy)-3-(3,4-dimethoxyphenyl)propansäure [German] [ACD/IUPAC Name]
Acide (2R)-2-({(2E)-3-[3,4-bis(benzyloxy)phényl]-2-propenoyl}oxy)-3-(3,4-diméthoxyphényl)propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, α-[[(2E)-3-[3,4-bis(phenylmethoxy)phenyl]-1-oxo-2-propen-1-yl]oxy]-3,4-dimethoxy-, (αR)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 747.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.3±3.0 kJ/mol
Flash Point: 238.3±26.4 °C
Index of Refraction: 1.616
Molar Refractivity: 159.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 6.90
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 32.74
ACD/KOC (pH 5.5): 71.06
ACD/LogD (pH 7.4): 2.18
ACD/BCF (pH 7.4): 3.46
ACD/KOC (pH 7.4): 7.52
Polar Surface Area: 101 Å2
Polarizability: 63.2±0.5 10-24cm3
Surface Tension: 50.4±3.0 dyne/cm
Molar Volume: 456.5±3.0 cm3

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