ChemSpider 2D Image | 7beta-hydroxysitosterol | C29H50O2

7β-hydroxysitosterol

  • Molecular FormulaC29H50O2
  • Average mass430.706 Da
  • Monoisotopic mass430.381073 Da
  • ChemSpider ID23327181

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3β,7β)-Stigmast-5-en-3,7-diol [German] [ACD/IUPAC Name]
(3β,7β)-Stigmast-5-ene-3,7-diol [ACD/IUPAC Name]
(3β,7β)-Stigmast-5-ène-3,7-diol [French] [ACD/IUPAC Name]
7β-hydroxysitosterol
Stigmast-5-ene-3,7-diol, (3β,7β)- [ACD/Index Name]
CHEMBL455367
ikshusterol

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 535.0±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.3±6.0 kJ/mol
Flash Point: 218.2±21.4 °C
Index of Refraction: 1.531
Molar Refractivity: 130.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 8.82
ACD/LogD (pH 5.5): 7.77
ACD/BCF (pH 5.5): 472772.38
ACD/KOC (pH 5.5): 401317.38
ACD/LogD (pH 7.4): 7.77
ACD/BCF (pH 7.4): 472772.38
ACD/KOC (pH 7.4): 401317.38
Polar Surface Area: 40 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 40.6±5.0 dyne/cm
Molar Volume: 422.2±5.0 cm3

Click to predict properties on the Chemicalize site


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