ChemSpider 2D Image | IN00280; betulin; IN00322 | C30H50O2

IN00280; betulin; IN00322

  • Molecular FormulaC30H50O2
  • Average mass442.717 Da
  • Monoisotopic mass442.381073 Da
  • ChemSpider ID25995412

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(3β,18ξ)-Lup-20(29)-en-3,28-diol [German] [ACD/IUPAC Name]
(3β,18ξ)-Lup-20(29)-ene-3,28-diol [ACD/IUPAC Name]
(3β,18ξ)-Lup-20(29)-ène-3,28-diol [French] [ACD/IUPAC Name]
IN00280; betulin; IN00322
Lup-20(29)-ene-3,28-diol, (3β,18ξ)- [ACD/Index Name]
Betulin [Wiki]
IN00280
IN00322

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

Density: 1.0±0.1 g/cm3
Boiling Point: 522.3±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: 210.9±17.2 °C
Index of Refraction: 1.525
Molar Refractivity: 133.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 9.01
ACD/LogD (pH 5.5): 7.70
ACD/BCF (pH 5.5): 415122.22
ACD/KOC (pH 5.5): 365647.94
ACD/LogD (pH 7.4): 7.70
ACD/BCF (pH 7.4): 415122.22
ACD/KOC (pH 7.4): 365647.94
Polar Surface Area: 40 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 37.0±3.0 dyne/cm
Molar Volume: 435.1±3.0 cm3

Click to predict properties on the Chemicalize site


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