ChemSpider 2D Image | kaimanol | C36H52O3

kaimanol

  • Molecular FormulaC36H52O3
  • Average mass532.796 Da
  • Monoisotopic mass532.391663 Da
  • ChemSpider ID103835413

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3β,22S,24E)-22-Hydroxystigmasta-5,24(28)-dien-3-yl benzoate [ACD/IUPAC Name]
(3β,22S,24E)-22-Hydroxystigmasta-5,24(28)-dien-3-yl-benzoat [German] [ACD/IUPAC Name]
Benzoate de (3β,22S,24E)-22-hydroxystigmasta-5,24(28)-dién-3-yle [French] [ACD/IUPAC Name]
kaimanol
Stigmasta-5,24(28)-diene-3,22-diol, 3-benzoate, (3β,22S,24E)- [ACD/Index 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: 618.4±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.4±3.0 kJ/mol
Flash Point: 225.1±19.5 °C
Index of Refraction: 1.561
Molar Refractivity: 160.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 11.25
ACD/LogD (pH 5.5): 9.69
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4430852.00
ACD/LogD (pH 7.4): 9.69
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4430852.00
Polar Surface Area: 47 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 44.0±5.0 dyne/cm
Molar Volume: 494.7±5.0 cm3

Click to predict properties on the Chemicalize site


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