ChemSpider 2D Image | (5beta,7alpha,8alpha,9beta,10alpha,11beta,13alpha,14R)-7,14-Dihydroxy-18-(hydroxymethoxy)-15-oxokaur-16-en-11-yl acetate | C23H34O7

(5β,7α,8α,9β,10α,11β,13α,14R)-7,14-Dihydroxy-18-(hydroxymethoxy)-15-oxokaur-16-en-11-yl acetate

  • Molecular FormulaC23H34O7
  • Average mass422.512 Da
  • Monoisotopic mass422.230438 Da
  • ChemSpider ID24783994

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(5β,7α,8α,9β,10α,11β,13α,14R)-7,14-Dihydroxy-18-(hydroxymethoxy)-15-oxokaur-16-en-11-yl acetate [ACD/IUPAC Name]
(5β,7α,8α,9β,10α,11β,13α,14R)-7,14-Dihydroxy-18-(hydroxymethoxy)-15-oxokaur-16-en-11-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (5β,7α,8α,9β,10α,11β,13α,14R)-7,14-dihydroxy-18-(hydroxyméthoxy)-15-oxokaur-16-én-11-yle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 544.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.7±6.0 kJ/mol
Flash Point: 181.3±23.6 °C
Index of Refraction: 1.571
Molar Refractivity: 108.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.83
ACD/LogD (pH 5.5): 1.56
ACD/BCF (pH 5.5): 9.06
ACD/KOC (pH 5.5): 168.61
ACD/LogD (pH 7.4): 1.56
ACD/BCF (pH 7.4): 9.06
ACD/KOC (pH 7.4): 168.61
Polar Surface Area: 113 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 55.5±5.0 dyne/cm
Molar Volume: 328.9±5.0 cm3

Click to predict properties on the Chemicalize site


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