ChemSpider 2D Image | (3beta,5xi,9xi,16beta,21alpha,22alpha)-16,21-Epoxyolean-12-ene-3,22,24,28-tetrol | C30H48O5

(3β,5ξ,9ξ,16β,21α,22α)-16,21-Epoxyolean-12-ene-3,22,24,28-tetrol

  • Molecular FormulaC30H48O5
  • Average mass488.699 Da
  • Monoisotopic mass488.350189 Da
  • ChemSpider ID26370808

  • defined stereocentres - 10 of 12 defined stereocentres

More details:

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

(3β,5ξ,9ξ,16β,21α,22α)-16,21-Epoxyolean-12-en-3,22,24,28-tetrol [German] [ACD/IUPAC Name]
(3β,5ξ,9ξ,16β,21α,22α)-16,21-Epoxyolean-12-ene-3,22,24,28-tetrol [ACD/IUPAC Name]
(3β,5ξ,9ξ,16β,21α,22α)-16,21-Époxyoléan-12-ène-3,22,24,28-tétrol [French] [ACD/IUPAC Name]
Olean-12-ene-3,22,24,28-tetrol, 16,21-epoxy-, (3β,5ξ,9ξ,16β,21α,22α)- [ACD/Index Name]
(3β,5ξ,9ξ,16α,21α,22α)-16,21-Epoxyolean-12-en-3,22,24,28-tetrol [German] [ACD/IUPAC Name]
(3β,5ξ,9ξ,16α,21α,22α)-16,21-Epoxyolean-12-ene-3,22,24,28-tetrol [ACD/IUPAC Name]
(3β,5ξ,9ξ,16α,21α,22α)-16,21-Epoxyoléan-12-ène-3,22,24,28-tétrol [French] [ACD/IUPAC Name]
Olean-12-ene-3,22,24,28-tetrol, 16,21-epoxy-, (3β,5ξ,9ξ,16α,21α,22α)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 609.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 103.9±6.0 kJ/mol
Flash Point: 322.6±31.5 °C
Index of Refraction: 1.593
Molar Refractivity: 136.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.74
ACD/LogD (pH 5.5): 4.74
ACD/BCF (pH 5.5): 2377.95
ACD/KOC (pH 5.5): 9084.11
ACD/LogD (pH 7.4): 4.74
ACD/BCF (pH 7.4): 2377.95
ACD/KOC (pH 7.4): 9084.10
Polar Surface Area: 90 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 54.4±5.0 dyne/cm
Molar Volume: 401.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement