ChemSpider 2D Image | (2E)-3-Oxo-2-(2,4,5-trimethoxybenzylidene)urs-12-en-28-oic acid | C40H56O6

(2E)-3-Oxo-2-(2,4,5-trimethoxybenzylidene)urs-12-en-28-oic acid

  • Molecular FormulaC40H56O6
  • Average mass632.869 Da
  • Monoisotopic mass632.407715 Da
  • ChemSpider ID58915145

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2E)-3-Oxo-2-(2,4,5-trimethoxybenzyliden)urs-12-en-28-säure [German] [ACD/IUPAC Name]
(2E)-3-Oxo-2-(2,4,5-trimethoxybenzylidene)urs-12-en-28-oic acid [ACD/IUPAC Name]
Acide (2E)-3-oxo-2-(2,4,5-triméthoxybenzylidène)urs-12-én-28-oïque [French] [ACD/IUPAC Name]
Urs-12-en-28-oic acid, 3-oxo-2-[(2,4,5-trimethoxyphenyl)methylene]-, (2E)- [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: 728.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.6±3.0 kJ/mol
Flash Point: 216.9±26.4 °C
Index of Refraction: 1.573
Molar Refractivity: 180.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 10.54
ACD/LogD (pH 5.5): 9.09
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 826451.25
ACD/LogD (pH 7.4): 7.28
ACD/BCF (pH 7.4): 45920.98
ACD/KOC (pH 7.4): 13053.53
Polar Surface Area: 82 Å2
Polarizability: 71.5±0.5 10-24cm3
Surface Tension: 48.2±5.0 dyne/cm
Molar Volume: 546.7±5.0 cm3

Click to predict properties on the Chemicalize site


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