ChemSpider 2D Image | 4-Hydroxy-3-{(2Z)-2-[(5beta,10alpha,13Z)-podocarp-8-en-13-ylidene]ethyl}benzoic acid | C26H34O3

4-Hydroxy-3-{(2Z)-2-[(5β,10α,13Z)-podocarp-8-en-13-ylidene]ethyl}benzoic acid

  • Molecular FormulaC26H34O3
  • Average mass394.546 Da
  • Monoisotopic mass394.250793 Da
  • ChemSpider ID24689188

  • 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

4-Hydroxy-3-{(2Z)-2-[(5β,10α,13Z)-podocarp-8-en-13-yliden]ethyl}benzoesäure [German] [ACD/IUPAC Name]
4-Hydroxy-3-{(2Z)-2-[(5β,10α,13Z)-podocarp-8-en-13-ylidene]ethyl}benzoic acid [ACD/IUPAC Name]
Acide 4-hydroxy-3-{(2Z)-2-[(5β,10α,13Z)-podocarp-8-én-13-ylidène]éthyl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[(2Z)-2-[(4bR,8aR)-3,4,4b,5,6,7,8,8a,9,10-decahydro-4b,8,8-trimethyl-2(1H)-phenanthrenylidene]ethyl]-4-hydroxy- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL457171/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 562.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.0±3.0 kJ/mol
Flash Point: 308.3±26.6 °C
Index of Refraction: 1.598
Molar Refractivity: 115.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 8.81
ACD/LogD (pH 5.5): 7.23
ACD/BCF (pH 5.5): 101840.33
ACD/KOC (pH 5.5): 66882.52
ACD/LogD (pH 7.4): 5.56
ACD/BCF (pH 7.4): 2183.28
ACD/KOC (pH 7.4): 1433.84
Polar Surface Area: 58 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 51.5±5.0 dyne/cm
Molar Volume: 338.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement