ChemSpider 2D Image | (3alpha,24S)-3-Acetoxy-24,25-dihydroxylanost-8-en-21-oic acid | C32H52O6

(3α,24S)-3-Acetoxy-24,25-dihydroxylanost-8-en-21-oic acid

  • Molecular FormulaC32H52O6
  • Average mass532.752 Da
  • Monoisotopic mass532.376404 Da
  • ChemSpider ID9412971

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3α,24S)-3-Acetoxy-24,25-dihydroxylanost-8-en-21-oic acid [ACD/IUPAC Name]
(3α,24S)-3-Acetoxy-24,25-dihydroxylanost-8-en-21-säure [German] [ACD/IUPAC Name]
Acide (3α,24S)-3-acétoxy-24,25-dihydroxylanost-8-én-21-oïque [French] [ACD/IUPAC Name]
Lanost-8-en-21-oic acid, 3-(acetyloxy)-24,25-dihydroxy-, (3α,24S)- [ACD/Index Name]
Fomitopinic acid B

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

Density: 1.1±0.1 g/cm3
Boiling Point: 635.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 107.5±6.0 kJ/mol
Flash Point: 194.2±25.0 °C
Index of Refraction: 1.548
Molar Refractivity: 148.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.65
ACD/LogD (pH 5.5): 5.57
ACD/BCF (pH 5.5): 5837.75
ACD/KOC (pH 5.5): 9140.40
ACD/LogD (pH 7.4): 3.76
ACD/BCF (pH 7.4): 91.73
ACD/KOC (pH 7.4): 143.62
Polar Surface Area: 104 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 48.1±5.0 dyne/cm
Molar Volume: 465.9±5.0 cm3

Click to predict properties on the Chemicalize site


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