ChemSpider 2D Image | 3β-Hydroxytirucalla-8,24-dien-21-oic acid | C30H48O3

3β-Hydroxytirucalla-8,24-dien-21-oic acid

  • Molecular FormulaC30H48O3
  • Average mass456.700 Da
  • Monoisotopic mass456.360352 Da
  • ChemSpider ID34220470

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3β,13α,14β,17α,20S)-3-Hydroxylanosta-8,24-dien-21-oic acid [ACD/IUPAC Name]
(3β,13α,14β,17α,20S)-3-Hydroxylanosta-8,24-dien-21-säure [German] [ACD/IUPAC Name]
28282-54-4 [RN]
3β-Hydroxytirucalla-8,24-dien-21-oic acid
Acide (3β,13α,14β,17α,20S)-3-hydroxylanosta-8,24-dién-21-oïque [French] [ACD/IUPAC Name]
Lanosta-8,24-dien-21-oic acid, 3-hydroxy-, (3β,13α,14β,17α,20S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 566.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.8±6.0 kJ/mol
Flash Point: 310.7±26.6 °C
Index of Refraction: 1.547
Molar Refractivity: 135.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 8.96
ACD/LogD (pH 5.5): 7.46
ACD/BCF (pH 5.5): 165066.34
ACD/KOC (pH 5.5): 103996.86
ACD/LogD (pH 7.4): 5.65
ACD/BCF (pH 7.4): 2599.64
ACD/KOC (pH 7.4): 1637.85
Polar Surface Area: 58 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 43.6±5.0 dyne/cm
Molar Volume: 425.9±5.0 cm3

Click to predict properties on the Chemicalize site


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