ChemSpider 2D Image | [(1S,2R,3R)-7-Hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydro-2-naphthalenyl]methyl (2E)-3-(3,4-dihydroxyphenyl)acrylate | C31H34O11

[(1S,2R,3R)-7-Hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydro-2-naphthalenyl]methyl (2E)-3-(3,4-dihydroxyphenyl)acrylate

  • Molecular FormulaC31H34O11
  • Average mass582.595 Da
  • Monoisotopic mass582.210083 Da
  • ChemSpider ID17627928

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2E)-3-(3,4-Dihydroxyphényl)acrylate de [(1S,2R,3R)-7-hydroxy-1-(4-hydroxy-3,5-diméthoxyphényl)-3-(hydroxyméthyl)-6,8-diméthoxy-1,2,3,4-tétrahydro-2-naphtalényl]méthyle [French] [ACD/IUPAC Name]
[(1S,2R,3R)-7-Hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydro-2-naphthalenyl]methyl (2E)-3-(3,4-dihydroxyphenyl)acrylate [ACD/IUPAC Name]
[(1S,2R,3R)-7-Hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydro-2-naphthalinyl]methyl-(2E)-3-(3,4-dihydroxyphenyl)acrylat [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, [(1S,2R,3R)-1,2,3,4-tetrahydro-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-2-naphthalenyl]methyl ester, (2E)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 786.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.0±3.0 kJ/mol
Flash Point: 253.6±26.4 °C
Index of Refraction: 1.628
Molar Refractivity: 154.5±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 2.07
ACD/LogD (pH 5.5): 2.39
ACD/BCF (pH 5.5): 38.67
ACD/KOC (pH 5.5): 476.23
ACD/LogD (pH 7.4): 2.38
ACD/BCF (pH 7.4): 37.83
ACD/KOC (pH 7.4): 465.91
Polar Surface Area: 164 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 58.2±3.0 dyne/cm
Molar Volume: 435.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement