ChemSpider 2D Image | (2R,3R)-4-Hydroxy-2,3-bis(4-hydroxy-3-methoxybenzyl)butyl (2E)-3-(4-hydroxy-3-methoxyphenyl)acrylate | C30H34O9

(2R,3R)-4-Hydroxy-2,3-bis(4-hydroxy-3-methoxybenzyl)butyl (2E)-3-(4-hydroxy-3-methoxyphenyl)acrylate

  • Molecular FormulaC30H34O9
  • Average mass538.586 Da
  • Monoisotopic mass538.220276 Da
  • ChemSpider ID24698667

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2E)-3-(4-Hydroxy-3-méthoxyphényl)acrylate de (2R,3R)-4-hydroxy-2,3-bis(4-hydroxy-3-méthoxybenzyl)butyle [French] [ACD/IUPAC Name]
(2R,3R)-4-Hydroxy-2,3-bis(4-hydroxy-3-methoxybenzyl)butyl (2E)-3-(4-hydroxy-3-methoxyphenyl)acrylate [ACD/IUPAC Name]
(2R,3R)-4-Hydroxy-2,3-bis(4-hydroxy-3-methoxybenzyl)butyl-(2E)-3-(4-hydroxy-3-methoxyphenyl)acrylat [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, (2R,3R)-4-hydroxy-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]butyl ester, (2E)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL479034/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 775.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.3±3.0 kJ/mol
Flash Point: 252.3±26.4 °C
Index of Refraction: 1.622
Molar Refractivity: 147.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 149.48
ACD/KOC (pH 5.5): 1253.63
ACD/LogD (pH 7.4): 3.16
ACD/BCF (pH 7.4): 148.23
ACD/KOC (pH 7.4): 1243.15
Polar Surface Area: 135 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 55.2±3.0 dyne/cm
Molar Volume: 419.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement