Found 8 results

Search term: KGELVXQPIUKGCO (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3beta,5xi,13alpha,14beta,17xi,20S,24Z)-3-Hydroxylanosta-8,24-dien-26-oic acid | C30H48O3

(3β,5ξ,13α,14β,17ξ,20S,24Z)-3-Hydroxylanosta-8,24-dien-26-oic acid

  • Molecular FormulaC30H48O3
  • Average mass456.700 Da
  • Monoisotopic mass456.360352 Da
  • ChemSpider ID23281209

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 7 defined stereocentres

More details:

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

(3β,5ξ,13α,14β,17ξ,20S,24Z)-3-Hydroxylanosta-8,24-dien-26-oic acid [ACD/IUPAC Name]
(3β,5ξ,13α,14β,17ξ,20S,24Z)-3-Hydroxylanosta-8,24-dien-26-säure [German] [ACD/IUPAC Name]
Acide (3β,5ξ,13α,14β,17ξ,20S,24Z)-3-hydroxylanosta-8,24-dién-26-oïque [French] [ACD/IUPAC Name]
Lanosta-8,24-dien-26-oic acid, 3-hydroxy-, (3β,5ξ,13α,14β,17ξ,20S,24Z)- [ACD/Index Name]
24Z-isomasticadienolic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 567.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.9±6.0 kJ/mol
Flash Point: 311.2±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: 9.44
ACD/LogD (pH 5.5): 7.91
ACD/BCF (pH 5.5): 430407.34
ACD/KOC (pH 5.5): 250857.41
ACD/LogD (pH 7.4): 6.15
ACD/BCF (pH 7.4): 7433.50
ACD/KOC (pH 7.4): 4332.52
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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