ChemSpider 2D Image | aspergilone A | C26H26O3

aspergilone A

  • Molecular FormulaC26H26O3
  • Average mass386.483 Da
  • Monoisotopic mass386.188202 Da
  • ChemSpider ID26381558

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,4R)-7,7-Dibenzyl-3,4,5-trimethyl-3H-isochromen-6,8(4H,7H)-dion [German] [ACD/IUPAC Name]
(3S,4R)-7,7-Dibenzyl-3,4,5-trimethyl-3H-isochromene-6,8(4H,7H)-dione [ACD/IUPAC Name]
(3S,4R)-7,7-Dibenzyl-3,4,5-triméthyl-3H-isochromène-6,8(4H,7H)-dione [French] [ACD/IUPAC Name]
3H-2-Benzopyran-6,8(4H,7H)-dione, 3,4,5-trimethyl-7,7-bis(phenylmethyl)-, (3S,4R)- [ACD/Index Name]
aspergilone A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 554.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.6±3.0 kJ/mol
Flash Point: 240.0±30.2 °C
Index of Refraction: 1.606
Molar Refractivity: 113.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.10
ACD/LogD (pH 5.5): 5.12
ACD/BCF (pH 5.5): 4567.33
ACD/KOC (pH 5.5): 14493.69
ACD/LogD (pH 7.4): 5.12
ACD/BCF (pH 7.4): 4567.33
ACD/KOC (pH 7.4): 14493.69
Polar Surface Area: 43 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 48.4±5.0 dyne/cm
Molar Volume: 328.5±5.0 cm3

Click to predict properties on the Chemicalize site


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