ChemSpider 2D Image | (13alpha,14beta,17alpha,20S,23R,24S)-23,24-Dihydroxy-25-methoxylanost-7-en-3-one | C31H52O4

(13α,14β,17α,20S,23R,24S)-23,24-Dihydroxy-25-methoxylanost-7-en-3-one

  • Molecular FormulaC31H52O4
  • Average mass488.742 Da
  • Monoisotopic mass488.386566 Da
  • ChemSpider ID28424564

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(13α,14β,17α,20S,23R,24S)-23,24-Dihydroxy-25-methoxylanost-7-en-3-on [German] [ACD/IUPAC Name]
(13α,14β,17α,20S,23R,24S)-23,24-Dihydroxy-25-methoxylanost-7-en-3-one [ACD/IUPAC Name]
(13α,14β,17α,20S,23R,24S)-23,24-Dihydroxy-25-méthoxylanost-7-én-3-one [French] [ACD/IUPAC Name]
Lanost-7-en-3-one, 23,24-dihydroxy-25-methoxy-, (13α,14β,17α,20S,23R,24S)- [ACD/Index Name]
115334-04-8 [RN]
Phellochin

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

Density: 1.1±0.1 g/cm3
Boiling Point: 589.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.9±6.0 kJ/mol
Flash Point: 180.1±23.6 °C
Index of Refraction: 1.534
Molar Refractivity: 141.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.83
ACD/LogD (pH 5.5): 6.37
ACD/BCF (pH 5.5): 40773.75
ACD/KOC (pH 5.5): 69453.38
ACD/LogD (pH 7.4): 6.37
ACD/BCF (pH 7.4): 40773.75
ACD/KOC (pH 7.4): 69453.38
Polar Surface Area: 67 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 42.6±5.0 dyne/cm
Molar Volume: 456.6±5.0 cm3

Click to predict properties on the Chemicalize site


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