ChemSpider 2D Image | (5xi,8alpha,9xi,10alpha,16beta)-7,16-Dihydroxykauran-17-yl 3-methyl-2-butenoate | C25H40O4

(5ξ,8α,9ξ,10α,16β)-7,16-Dihydroxykauran-17-yl 3-methyl-2-butenoate

  • Molecular FormulaC25H40O4
  • Average mass404.583 Da
  • Monoisotopic mass404.292664 Da
  • ChemSpider ID129310718

  • defined stereocentres - 3 of 7 defined stereocentres

More details:

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

(5ξ,8α,9ξ,10α,16β)-7,16-Dihydroxykauran-17-yl 3-methyl-2-butenoate [ACD/IUPAC Name]
(5ξ,8α,9ξ,10α,16β)-7,16-Dihydroxykauran-17-yl-3-methyl-2-butenoat [German] [ACD/IUPAC Name]
3-Méthyl-2-buténoate de (5ξ,8α,9ξ,10α,16β)-7,16-dihydroxykauran-17-yle [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 515.0±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.6±6.0 kJ/mol
Flash Point: 166.1±16.7 °C
Index of Refraction: 1.550
Molar Refractivity: 114.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.22
ACD/LogD (pH 5.5): 5.91
ACD/BCF (pH 5.5): 18354.88
ACD/KOC (pH 5.5): 39226.52
ACD/LogD (pH 7.4): 5.91
ACD/BCF (pH 7.4): 18354.88
ACD/KOC (pH 7.4): 39226.52
Polar Surface Area: 67 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 46.2±5.0 dyne/cm
Molar Volume: 358.3±5.0 cm3

Click to predict properties on the Chemicalize site


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