ChemSpider 2D Image | (1alpha,3beta,5beta,6alpha,8alpha,9beta,10alpha,11beta)-1,6,11-Trihydroxy-15-oxokaur-16-en-3-yl acetate | C22H32O6

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

  • Molecular FormulaC22H32O6
  • Average mass392.486 Da
  • Monoisotopic mass392.219879 Da
  • ChemSpider ID23281679

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1α,3β,5β,6α,8α,9β,10α,11β)-1,6,11-Trihydroxy-15-oxokaur-16-en-3-yl acetate [ACD/IUPAC Name]
(1α,3β,5β,6α,8α,9β,10α,11β)-1,6,11-Trihydroxy-15-oxokaur-16-en-3-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (1α,3β,5β,6α,8α,9β,10α,11β)-1,6,11-trihydroxy-15-oxokaur-16-én-3-yle [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL427086/
inflexanin B

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

Density: 1.3±0.1 g/cm3
Boiling Point: 549.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.3±6.0 kJ/mol
Flash Point: 187.2±23.6 °C
Index of Refraction: 1.576
Molar Refractivity: 101.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.34
ACD/LogD (pH 5.5): 1.36
ACD/BCF (pH 5.5): 6.39
ACD/KOC (pH 5.5): 131.35
ACD/LogD (pH 7.4): 1.36
ACD/BCF (pH 7.4): 6.39
ACD/KOC (pH 7.4): 131.35
Polar Surface Area: 104 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 54.5±5.0 dyne/cm
Molar Volume: 307.4±5.0 cm3

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