ChemSpider 2D Image | (1beta,3beta,9xi)-Lup-20(29)-ene-1,3-diol | C30H50O2

(1β,3β,9ξ)-Lup-20(29)-ene-1,3-diol

  • Molecular FormulaC30H50O2
  • Average mass442.717 Da
  • Monoisotopic mass442.381073 Da
  • ChemSpider ID128440816

  • defined stereocentres - 10 of 11 defined stereocentres

More details:

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

(1β,3β,9ξ)-Lup-20(29)-en-1,3-diol [German] [ACD/IUPAC Name]
(1β,3β,9ξ)-Lup-20(29)-ene-1,3-diol [ACD/IUPAC Name]
(1β,3β,9ξ)-Lup-20(29)-ène-1,3-diol [French] [ACD/IUPAC Name]
Lup-20(29)-ene-1,3-diol, (1β,3β,9ξ)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4475300/

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

Density: 1.0±0.1 g/cm3
Boiling Point: 518.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.0±6.0 kJ/mol
Flash Point: 208.7±24.7 °C
Index of Refraction: 1.527
Molar Refractivity: 133.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 9.35
ACD/LogD (pH 5.5): 7.97
ACD/BCF (pH 5.5): 672793.56
ACD/KOC (pH 5.5): 516616.34
ACD/LogD (pH 7.4): 7.97
ACD/BCF (pH 7.4): 672793.56
ACD/KOC (pH 7.4): 516616.34
Polar Surface Area: 40 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 37.3±3.0 dyne/cm
Molar Volume: 433.5±3.0 cm3

Click to predict properties on the Chemicalize site


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