ChemSpider 2D Image | 24-epi-Quadrangularic acid G | C31H48O7

24-epi-Quadrangularic acid G

  • Molecular FormulaC31H48O7
  • Average mass532.709 Da
  • Monoisotopic mass532.340027 Da
  • ChemSpider ID8872900

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(1α,3β,9β,24R)-1,3,24-Trihydroxy-28-methoxy-28-oxo-9,19-cyclolanost-25-en-21-oic acid [ACD/IUPAC Name]
(1α,3β,9β,24R)-1,3,24-Trihydroxy-28-methoxy-28-oxo-9,19-cyclolanost-25-en-21-säure [German] [ACD/IUPAC Name]
24-epi-Quadrangularic acid G
9,19-Cyclolanost-25-ene-21,28-dioic acid, 1,3,24-trihydroxy-, 28-methyl ester, (1α,3β,9β,24R)- [ACD/Index Name]
Acide (1α,3β,9β,24R)-1,3,24-trihydroxy-28-méthoxy-28-oxo-9,19-cyclolanost-25-én-21-oïque [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL453000/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 670.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.7±6.0 kJ/mol
Flash Point: 211.1±25.0 °C
Index of Refraction: 1.576
Molar Refractivity: 142.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.69
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 124.98
ACD/KOC (pH 5.5): 574.22
ACD/LogD (pH 7.4): 1.57
ACD/BCF (pH 7.4): 1.96
ACD/KOC (pH 7.4): 9.03
Polar Surface Area: 124 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 55.1±5.0 dyne/cm
Molar Volume: 431.6±5.0 cm3

Click to predict properties on the Chemicalize site


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