ChemSpider 2D Image | Methyl (3alpha,22S,25R)-3,22-dihydroxylanost-8-en-26-oate | C31H52O4

Methyl (3α,22S,25R)-3,22-dihydroxylanost-8-en-26-oate

  • Molecular FormulaC31H52O4
  • Average mass488.742 Da
  • Monoisotopic mass488.386566 Da
  • ChemSpider ID78441982

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3α,22S,25R)-3,22-Dihydroxylanost-8-én-26-oate de méthyle [French] [ACD/IUPAC Name]
Lanost-8-en-26-oic acid, 3,22-dihydroxy-, methyl ester, (3α,22S,25R)- [ACD/Index Name]
Methyl (3α,22S,25R)-3,22-dihydroxylanost-8-en-26-oate [ACD/IUPAC Name]
Methyl-(3α,22S,25R)-3,22-dihydroxylanost-8-en-26-oat [German] [ACD/IUPAC Name]
Astrasiate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 560.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 96.8±6.0 kJ/mol
Flash Point: 168.5±23.6 °C
Index of Refraction: 1.534
Molar Refractivity: 141.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 7.78
ACD/LogD (pH 5.5): 7.53
ACD/BCF (pH 5.5): 311390.06
ACD/KOC (pH 5.5): 297632.94
ACD/LogD (pH 7.4): 7.53
ACD/BCF (pH 7.4): 311390.06
ACD/KOC (pH 7.4): 297632.94
Polar Surface Area: 67 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 42.8±5.0 dyne/cm
Molar Volume: 456.0±5.0 cm3

Click to predict properties on the Chemicalize site


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