ChemSpider 2D Image | Antrodioxolanone | C29H32O9

Antrodioxolanone

  • Molecular FormulaC29H32O9
  • Average mass524.559 Da
  • Monoisotopic mass524.204651 Da
  • ChemSpider ID20568907

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4R,5S)-4,5-Dimethyl-4,5-bis[(3,4,6-trimethoxy-2-methylphenyl)ethinyl]-1,3-dioxolan-2-on [German] [ACD/IUPAC Name]
(4R,5S)-4,5-Dimethyl-4,5-bis[(3,4,6-trimethoxy-2-methylphenyl)ethynyl]-1,3-dioxolan-2-one [ACD/IUPAC Name]
(4R,5S)-4,5-Diméthyl-4,5-bis[(3,4,6-triméthoxy-2-méthylphényl)éthynyl]-1,3-dioxolan-2-one [French] [ACD/IUPAC Name]
(4S,5R)-4,5-dimethyl-4,5-bis[(3,4,6-trimethoxy-2-methylphenyl)-ethynyl]-1,3-dioxolan-2-one
1,3-Dioxolan-2-one, 4,5-dimethyl-4,5-bis[2-(3,4,6-trimethoxy-2-methylphenyl)ethynyl]-, (4R,5S)- [ACD/Index Name]
Antrodioxolanone [Wiki]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 709.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.7±3.0 kJ/mol
Flash Point: 298.0±32.9 °C
Index of Refraction: 1.578
Molar Refractivity: 138.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.64
ACD/LogD (pH 5.5): 4.95
ACD/BCF (pH 5.5): 3426.01
ACD/KOC (pH 5.5): 11797.67
ACD/LogD (pH 7.4): 4.95
ACD/BCF (pH 7.4): 3426.01
ACD/KOC (pH 7.4): 11797.67
Polar Surface Area: 91 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 54.1±5.0 dyne/cm
Molar Volume: 416.5±5.0 cm3

Click to predict properties on the Chemicalize site


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