ChemSpider 2D Image | Quillaic Acid | C30H46O5

Quillaic Acid

  • Molecular FormulaC30H46O5
  • Average mass486.683 Da
  • Monoisotopic mass486.334534 Da
  • ChemSpider ID34996727

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(3β,5ξ,16α,18α)-3,16-Dihydroxy-23-oxoolean-12-en-28-oic acid [ACD/IUPAC Name]
(3β,5ξ,16α,18α)-3,16-Dihydroxy-23-oxoolean-12-en-28-säure [German] [ACD/IUPAC Name]
631-01-6 [RN]
Acide (3β,5ξ,16α,18α)-3,16-dihydroxy-23-oxooléan-12-én-28-oïque [French] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 3,16-dihydroxy-23-oxo-, (3β,5ξ,16α,18α)- [ACD/Index Name]
Quillaic Acid
(3β,4α,16α)-3,16-dihydroxy-23-oxoolean-12-en-28-oic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 613.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.4±6.0 kJ/mol
Flash Point: 338.7±28.0 °C
Index of Refraction: 1.575
Molar Refractivity: 135.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.08
ACD/LogD (pH 5.5): 4.98
ACD/BCF (pH 5.5): 1893.78
ACD/KOC (pH 5.5): 3614.28
ACD/LogD (pH 7.4): 3.19
ACD/BCF (pH 7.4): 30.38
ACD/KOC (pH 7.4): 57.98
Polar Surface Area: 95 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 52.1±5.0 dyne/cm
Molar Volume: 409.7±5.0 cm3

Click to predict properties on the Chemicalize site


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