ChemSpider 2D Image | (1beta,3beta,11alpha)-1,3-Dihydroxy-11-methoxy-7-oxolanosta-8,24-dien-29-oic acid | C31H48O6

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

  • Molecular FormulaC31H48O6
  • Average mass516.709 Da
  • Monoisotopic mass516.345093 Da
  • ChemSpider ID23339229

  • 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-Dihydroxy-11-methoxy-7-oxolanosta-8,24-dien-29-oic acid [ACD/IUPAC Name]
(1β,3β,11α)-1,3-Dihydroxy-11-methoxy-7-oxolanosta-8,24-dien-29-säure [German] [ACD/IUPAC Name]
Acide (1β,3β,11α)-1,3-dihydroxy-11-méthoxy-7-oxolanosta-8,24-dién-29-oïque [French] [ACD/IUPAC Name]
Lanosta-8,24-dien-29-oic acid, 1,3-dihydroxy-11-methoxy-7-oxo-, (1β,3β,11α)- [ACD/Index Name]
Fomitellic acid C
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL517801/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 650.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.7±6.0 kJ/mol
Flash Point: 203.2±25.0 °C
Index of Refraction: 1.559
Molar Refractivity: 143.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.82
ACD/LogD (pH 5.5): 4.14
ACD/BCF (pH 5.5): 319.07
ACD/KOC (pH 5.5): 693.73
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 7.12
ACD/KOC (pH 7.4): 15.49
Polar Surface Area: 104 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 49.0±5.0 dyne/cm
Molar Volume: 443.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement