ChemSpider 2D Image | (1alpha,3beta,5beta,8alpha,9beta,10alpha,11beta)-1,11-Dihydroxy-6,15-dioxokaur-16-en-3-yl acetate | C22H30O6

(1α,3β,5β,8α,9β,10α,11β)-1,11-Dihydroxy-6,15-dioxokaur-16-en-3-yl acetate

  • Molecular FormulaC22H30O6
  • Average mass390.470 Da
  • Monoisotopic mass390.204254 Da
  • ChemSpider ID26385319

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1α,3β,5β,8α,9β,10α,11β)-1,11-Dihydroxy-6,15-dioxokaur-16-en-3-yl acetate [ACD/IUPAC Name]
(1α,3β,5β,8α,9β,10α,11β)-1,11-Dihydroxy-6,15-dioxokaur-16-en-3-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (1α,3β,5β,8α,9β,10α,11β)-1,11-dihydroxy-6,15-dioxokaur-16-én-3-yle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 548.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 95.2±6.0 kJ/mol
Flash Point: 187.8±23.6 °C
Index of Refraction: 1.569
Molar Refractivity: 100.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.51
ACD/LogD (pH 5.5): 1.24
ACD/BCF (pH 5.5): 5.14
ACD/KOC (pH 5.5): 112.34
ACD/LogD (pH 7.4): 1.24
ACD/BCF (pH 7.4): 5.14
ACD/KOC (pH 7.4): 112.34
Polar Surface Area: 101 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 52.7±5.0 dyne/cm
Molar Volume: 306.3±5.0 cm3

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