ChemSpider 2D Image | (1alpha,5beta,7alpha,8alpha,10alpha,11alpha,13alpha,14R)-7,13,14-Trihydroxy-15-oxokaur-16-ene-1,11-diyl diacetate | C24H34O8

(1α,5β,7α,8α,10α,11α,13α,14R)-7,13,14-Trihydroxy-15-oxokaur-16-ene-1,11-diyl diacetate

  • Molecular FormulaC24H34O8
  • Average mass450.522 Da
  • Monoisotopic mass450.225372 Da
  • ChemSpider ID62328382

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1α,5β,7α,8α,10α,11α,13α,14R)-7,13,14-Trihydroxy-15-oxokaur-16-en-1,11-diyl-diacetat [German] [ACD/IUPAC Name]
(1α,5β,7α,8α,10α,11α,13α,14R)-7,13,14-Trihydroxy-15-oxokaur-16-ene-1,11-diyl diacetate [ACD/IUPAC Name]
(1β,5β,7α,8α,9β,10α,11β,13α,14R)-7,13,14-Trihydroxy-15-oxokaur-16-en-1,11-diyl-diacetat [German] [ACD/IUPAC Name]
(1β,5β,7α,8α,9β,10α,11β,13α,14R)-7,13,14-Trihydroxy-15-oxokaur-16-ene-1,11-diyl diacetate [ACD/IUPAC Name]
Diacétate de (1α,5β,7α,8α,10α,11α,13α,14R)-7,13,14-trihydroxy-15-oxokaur-16-ène-1,11-diyle [French] [ACD/IUPAC Name]
Diacétate de (1β,5β,7α,8α,9β,10α,11β,13α,14R)-7,13,14-trihydroxy-15-oxokaur-16-ène-1,11-diyle [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: 571.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.3±6.0 kJ/mol
Flash Point: 188.7±23.6 °C
Index of Refraction: 1.574
Molar Refractivity: 112.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.98
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 38.26
ACD/KOC (pH 5.5): 472.66
ACD/LogD (pH 7.4): 2.38
ACD/BCF (pH 7.4): 38.26
ACD/KOC (pH 7.4): 472.62
Polar Surface Area: 130 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 56.7±5.0 dyne/cm
Molar Volume: 342.2±5.0 cm3

Click to predict properties on the Chemicalize site


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