ChemSpider 2D Image | (3beta,7alpha)-Stigmasta-5,22-diene-3,7-diol | C29H48O2

(3β,7α)-Stigmasta-5,22-diene-3,7-diol

  • Molecular FormulaC29H48O2
  • Average mass428.690 Da
  • Monoisotopic mass428.365417 Da
  • ChemSpider ID129309520

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3β,7α)-Stigmasta-5,22-dien-3,7-diol [German] [ACD/IUPAC Name]
(3β,7α)-Stigmasta-5,22-diene-3,7-diol [ACD/IUPAC Name]
(3β,7α)-Stigmasta-5,22-diène-3,7-diol [French] [ACD/IUPAC Name]
Stigmasta-5,22-diene-3,7-diol, (3β,7α)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 534.5±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.2±6.0 kJ/mol
Flash Point: 219.0±21.4 °C
Index of Refraction: 1.541
Molar Refractivity: 130.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 8.30
ACD/LogD (pH 5.5): 7.43
ACD/BCF (pH 5.5): 260119.30
ACD/KOC (pH 5.5): 261670.72
ACD/LogD (pH 7.4): 7.43
ACD/BCF (pH 7.4): 260119.30
ACD/KOC (pH 7.4): 261670.72
Polar Surface Area: 40 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 41.3±5.0 dyne/cm
Molar Volume: 415.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement