ChemSpider 2D Image | 3β,5α-Dihydroxyergosta-7,22-dien-6-one | C28H44O3

3β,5α-Dihydroxyergosta-7,22-dien-6-one

  • Molecular FormulaC28H44O3
  • Average mass428.647 Da
  • Monoisotopic mass428.329041 Da
  • ChemSpider ID29365070

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 9 defined stereocentres

More details:

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

(22E)-3,5-Dihydroxyergosta-7,22-dien-6-on [German] [ACD/IUPAC Name]
(22E)-3,5-Dihydroxyergosta-7,22-dien-6-one [ACD/IUPAC Name]
(22E)-3,5-Dihydroxyergosta-7,22-dién-6-one [French] [ACD/IUPAC Name]
14858-07-2 [RN]
3β,5α-Dihydroxyergosta-7,22-dien-6-one
Ergosta-7,22-dien-6-one, 3,5-dihydroxy-, (22E)- [ACD/Index Name]
[14858-07-2] [RN]
Ergosta-7,22-dien-6-one,3,5-dihydroxy-, (3b,5a,22E)-
MFCD20260678

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

Density: 1.1±0.1 g/cm3
Boiling Point: 550.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.5±6.0 kJ/mol
Flash Point: 300.8±26.6 °C
Index of Refraction: 1.551
Molar Refractivity: 126.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.51
ACD/LogD (pH 5.5): 5.70
ACD/BCF (pH 5.5): 12550.46
ACD/KOC (pH 5.5): 29881.96
ACD/LogD (pH 7.4): 5.70
ACD/BCF (pH 7.4): 12550.32
ACD/KOC (pH 7.4): 29881.63
Polar Surface Area: 58 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 44.1±5.0 dyne/cm
Molar Volume: 395.4±5.0 cm3

Click to predict properties on the Chemicalize site


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