ChemSpider 2D Image | 2-Cyanobenzyl (1alpha,2alpha,3beta)-3-hydroxy-1,2-epoxyolean-12-en-28-oate | C38H51NO4

2-Cyanobenzyl (1α,2α,3β)-3-hydroxy-1,2-epoxyolean-12-en-28-oate

  • Molecular FormulaC38H51NO4
  • Average mass585.816 Da
  • Monoisotopic mass585.381836 Da
  • ChemSpider ID129184587

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1α,2α,3β)-3-Hydroxy-1,2-époxyoléan-12-én-28-oate de 2-cyanobenzyle [French] [ACD/IUPAC Name]
2-Cyanbenzyl-(1α,2α,3β)-3-hydroxy-1,2-epoxyolean-12-en-28-oat [German] [ACD/IUPAC Name]
2-Cyanobenzyl (1α,2α,3β)-3-hydroxy-1,2-epoxyolean-12-en-28-oate [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 1,2-epoxy-3-hydroxy-, (2-cyanophenyl)methyl ester, (1α,2α,3β)- [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: 658.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.9±3.0 kJ/mol
Flash Point: 352.2±31.5 °C
Index of Refraction: 1.591
Molar Refractivity: 167.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 9.35
ACD/LogD (pH 5.5): 9.02
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1912714.13
ACD/LogD (pH 7.4): 9.02
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1912714.13
Polar Surface Area: 83 Å2
Polarizability: 66.3±0.5 10-24cm3
Surface Tension: 51.8±5.0 dyne/cm
Molar Volume: 495.4±5.0 cm3

Click to predict properties on the Chemicalize site


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