ChemSpider 2D Image | 3-Acetoxy-16-hydroxy-24-methylenelanost-8-en-21-oic acid | C33H52O5

3-Acetoxy-16-hydroxy-24-methylenelanost-8-en-21-oic acid

  • Molecular FormulaC33H52O5
  • Average mass528.763 Da
  • Monoisotopic mass528.381470 Da
  • ChemSpider ID280037

More details:






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

3-Acetoxy-16-hydroxy-24-methylenelanost-8-en-21-oic acid [ACD/IUPAC Name]
3-Acetoxy-16-hydroxy-24-methylenlanost-8-en-21-säure [German] [ACD/IUPAC Name]
Acide 3-acétoxy-16-hydroxy-24-méthylènelanost-8-én-21-oïque [French] [ACD/IUPAC Name]
Lanost-8-en-21-oic acid, 3-(acetyloxy)-16-hydroxy-24-methylene- [ACD/Index Name]
29070-92-6 [RN]
368-71-8 [RN]
pachymic acid

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

NSC244427 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 612.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.2±6.0 kJ/mol
Flash Point: 184.7±25.0 °C
Index of Refraction: 1.540
Molar Refractivity: 150.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 8.59
ACD/LogD (pH 5.5): 7.16
ACD/BCF (pH 5.5): 94519.33
ACD/KOC (pH 5.5): 66724.82
ACD/LogD (pH 7.4): 5.36
ACD/BCF (pH 7.4): 1485.19
ACD/KOC (pH 7.4): 1048.45
Polar Surface Area: 84 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 44.1±5.0 dyne/cm
Molar Volume: 480.1±5.0 cm3

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