ChemSpider 2D Image | (3beta,12alpha,25S)-3,12-Dihydroxy-24-methylenelanost-8-en-26-oic acid | C31H50O4

(3β,12α,25S)-3,12-Dihydroxy-24-methylenelanost-8-en-26-oic acid

  • Molecular FormulaC31H50O4
  • Average mass486.726 Da
  • Monoisotopic mass486.370911 Da
  • ChemSpider ID78442201

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3β,12α,25S)-3,12-Dihydroxy-24-methylenelanost-8-en-26-oic acid [ACD/IUPAC Name]
(3β,12α,25S)-3,12-Dihydroxy-24-methylenlanost-8-en-26-säure [German] [ACD/IUPAC Name]
Acide (3β,12α,25S)-3,12-dihydroxy-24-méthylènelanost-8-én-26-oïque [French] [ACD/IUPAC Name]
Lanost-8-en-26-oic acid, 3,12-dihydroxy-24-methylene-, (3β,12α,25S)- [ACD/Index Name]
Palustrisoic acid G

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

Density: 1.1±0.1 g/cm3
Boiling Point: 605.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 103.2±6.0 kJ/mol
Flash Point: 333.7±28.0 °C
Index of Refraction: 1.550
Molar Refractivity: 141.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.61
ACD/LogD (pH 5.5): 6.32
ACD/BCF (pH 5.5): 22154.59
ACD/KOC (pH 5.5): 23972.33
ACD/LogD (pH 7.4): 4.52
ACD/BCF (pH 7.4): 348.15
ACD/KOC (pH 7.4): 376.72
Polar Surface Area: 78 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 45.4±5.0 dyne/cm
Molar Volume: 442.4±5.0 cm3

Click to predict properties on the Chemicalize site


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