ChemSpider 2D Image | (6beta,8alpha,13alpha)-6-Hydroxystigmast-4-en-3-one | C29H48O2

(6β,8α,13α)-6-Hydroxystigmast-4-en-3-one

  • Molecular FormulaC29H48O2
  • Average mass428.690 Da
  • Monoisotopic mass428.365417 Da
  • ChemSpider ID114813989

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(6β,8α,13α)-6-Hydroxystigmast-4-en-3-on [German] [ACD/IUPAC Name]
(6β,8α,13α)-6-Hydroxystigmast-4-en-3-one [ACD/IUPAC Name]
(6β,8α,13α)-6-Hydroxystigmast-4-én-3-one [French] [ACD/IUPAC Name]
Stigmast-4-en-3-one, 6-hydroxy-, (6β,8α,13α)- [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: 537.4±29.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.6±6.0 kJ/mol
Flash Point: 226.6±16.9 °C
Index of Refraction: 1.526
Molar Refractivity: 129.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 8.63
ACD/LogD (pH 5.5): 6.81
ACD/BCF (pH 5.5): 87894.20
ACD/KOC (pH 5.5): 120355.59
ACD/LogD (pH 7.4): 6.81
ACD/BCF (pH 7.4): 87894.20
ACD/KOC (pH 7.4): 120355.59
Polar Surface Area: 37 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 39.6±5.0 dyne/cm
Molar Volume: 421.1±5.0 cm3

Click to predict properties on the Chemicalize site


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