ChemSpider 2D Image | (1beta,3beta,5alpha)-1,3,5-Trihydroxyergost-24(28)-en-6-one | C28H46O4

(1β,3β,5α)-1,3,5-Trihydroxyergost-24(28)-en-6-one

  • Molecular FormulaC28H46O4
  • Average mass446.662 Da
  • Monoisotopic mass446.339600 Da
  • ChemSpider ID30771063

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1β,3β,5α)-1,3,5-Trihydroxyergost-24(28)-en-6-on [German] [ACD/IUPAC Name]
(1β,3β,5α)-1,3,5-Trihydroxyergost-24(28)-en-6-one [ACD/IUPAC Name]
(1β,3β,5α)-1,3,5-Trihydroxyergost-24(28)-én-6-one [French] [ACD/IUPAC Name]
Ergost-24(28)-en-6-one, 1,3,5-trihydroxy-, (1β,3β,5α)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 570.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.2±6.0 kJ/mol
Flash Point: 312.6±26.6 °C
Index of Refraction: 1.547
Molar Refractivity: 127.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.02
ACD/LogD (pH 5.5): 5.29
ACD/BCF (pH 5.5): 6167.76
ACD/KOC (pH 5.5): 17970.71
ACD/LogD (pH 7.4): 5.29
ACD/BCF (pH 7.4): 6167.69
ACD/KOC (pH 7.4): 17970.47
Polar Surface Area: 78 Å2
Polarizability: 50.7±0.5 10-24cm3
Surface Tension: 45.8±3.0 dyne/cm
Molar Volume: 402.8±3.0 cm3

Click to predict properties on the Chemicalize site


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