ChemSpider 2D Image | (1beta,3beta,11alpha)-1,3,11-Trihydroxy-7-oxolanosta-8,24-dien-29-oic acid | C30H46O6

(1β,3β,11α)-1,3,11-Trihydroxy-7-oxolanosta-8,24-dien-29-oic acid

  • Molecular FormulaC30H46O6
  • Average mass502.683 Da
  • Monoisotopic mass502.329437 Da
  • ChemSpider ID23339227

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1β,3β,11α)-1,3,11-Trihydroxy-7-oxolanosta-8,24-dien-29-oic acid [ACD/IUPAC Name]
(1β,3β,11α)-1,3,11-Trihydroxy-7-oxolanosta-8,24-dien-29-säure [German] [ACD/IUPAC Name]
Acide (1β,3β,11α)-1,3,11-trihydroxy-7-oxolanosta-8,24-dién-29-oïque [French] [ACD/IUPAC Name]
Lanosta-8,24-dien-29-oic acid, 1,3,11-trihydroxy-7-oxo-, (1β,3β,11α)- [ACD/Index Name]
fomitellic acid A
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL463889/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 664.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 111.9±6.0 kJ/mol
Flash Point: 369.7±28.0 °C
Index of Refraction: 1.575
Molar Refractivity: 138.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 5.32
ACD/LogD (pH 5.5): 3.46
ACD/BCF (pH 5.5): 96.50
ACD/KOC (pH 5.5): 293.52
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 2.17
ACD/KOC (pH 7.4): 6.59
Polar Surface Area: 115 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 53.1±5.0 dyne/cm
Molar Volume: 418.4±5.0 cm3

Click to predict properties on the Chemicalize site


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