ChemSpider 2D Image | IN00378 | C37H54O3

IN00378

  • Molecular FormulaC37H54O3
  • Average mass546.823 Da
  • Monoisotopic mass546.407288 Da
  • ChemSpider ID24634288

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3β)-3-Hydroxylup-20(29)-én-28-oate de benzyle [French] [ACD/IUPAC Name]
Benzyl (3β)-3-hydroxylup-20(29)-en-28-oate [ACD/IUPAC Name]
Benzyl-(3β)-3-hydroxylup-20(29)-en-28-oat [German] [ACD/IUPAC Name]
IN00378
Lup-20(29)-en-28-oic acid, 3-hydroxy-, phenylmethyl ester, (3β)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 601.7±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.2±3.0 kJ/mol
Flash Point: 216.3±19.5 °C
Index of Refraction: 1.544
Molar Refractivity: 162.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 11.16
ACD/LogD (pH 5.5): 9.53
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3660805.75
ACD/LogD (pH 7.4): 9.53
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3660805.75
Polar Surface Area: 47 Å2
Polarizability: 64.4±0.5 10-24cm3
Surface Tension: 40.1±3.0 dyne/cm
Molar Volume: 514.9±3.0 cm3

Click to predict properties on the Chemicalize site


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