ChemSpider 2D Image | 30-Hydroxylup-20(29)-en-3-one | C30H48O2

30-Hydroxylup-20(29)-en-3-one

  • Molecular FormulaC30H48O2
  • Average mass440.701 Da
  • Monoisotopic mass440.365417 Da
  • ChemSpider ID24700989

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

30-Hydroxylup-20(29)-en-3-on [German] [ACD/IUPAC Name]
30-Hydroxylup-20(29)-en-3-one [ACD/IUPAC Name]
30-Hydroxylup-20(29)-én-3-one [French] [ACD/IUPAC Name]
72944-06-0 [RN]
Lup-20(29)-en-3-one, 30-hydroxy- [ACD/Index Name]
[72944-06-0] [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL481051/
MFCD20274971

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

Density: 1.0±0.1 g/cm3
Boiling Point: 522.8±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.6±6.0 kJ/mol
Flash Point: 220.9±15.2 °C
Index of Refraction: 1.520
Molar Refractivity: 131.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 8.73
ACD/LogD (pH 5.5): 7.90
ACD/BCF (pH 5.5): 591323.75
ACD/KOC (pH 5.5): 471024.22
ACD/LogD (pH 7.4): 7.90
ACD/BCF (pH 7.4): 591323.75
ACD/KOC (pH 7.4): 471024.22
Polar Surface Area: 37 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 36.2±3.0 dyne/cm
Molar Volume: 433.6±3.0 cm3

Click to predict properties on the Chemicalize site


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