ChemSpider 2D Image | (1alpha,3beta,5beta,7beta,8alpha,9beta,10alpha,11beta,16beta)-3,7-Dihydroxy-17-methoxy-6,15-dioxokaurane-1,11-diyl diacetate | C25H36O9

(1α,3β,5β,7β,8α,9β,10α,11β,16β)-3,7-Dihydroxy-17-methoxy-6,15-dioxokaurane-1,11-diyl diacetate

  • Molecular FormulaC25H36O9
  • Average mass480.548 Da
  • Monoisotopic mass480.235931 Da
  • ChemSpider ID29419222

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1α,3β,5β,7β,8α,9β,10α,11β,16β)-3,7-Dihydroxy-17-methoxy-6,15-dioxokauran-1,11-diyl-diacetat [German] [ACD/IUPAC Name]
(1α,3β,5β,7β,8α,9β,10α,11β,16β)-3,7-Dihydroxy-17-methoxy-6,15-dioxokaurane-1,11-diyl diacetate [ACD/IUPAC Name]
Diacétate de (1α,3β,5β,7β,8α,9β,10α,11β,16β)-3,7-dihydroxy-17-méthoxy-6,15-dioxokaurane-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: 597.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 102.2±6.0 kJ/mol
Flash Point: 195.4±23.6 °C
Index of Refraction: 1.553
Molar Refractivity: 118.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.17
ACD/LogD (pH 5.5): 0.64
ACD/BCF (pH 5.5): 1.80
ACD/KOC (pH 5.5): 52.94
ACD/LogD (pH 7.4): 0.64
ACD/BCF (pH 7.4): 1.80
ACD/KOC (pH 7.4): 52.93
Polar Surface Area: 136 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 54.0±5.0 dyne/cm
Molar Volume: 369.5±5.0 cm3

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