ChemSpider 2D Image | (7R)-3,8-Dibromo-4,7-dimethoxy-7,8-dimethyl-7,8-dihydro-2H,5H-pyrano[4,3-b]pyran-2-one | C12H14Br2O5

(7R)-3,8-Dibromo-4,7-dimethoxy-7,8-dimethyl-7,8-dihydro-2H,5H-pyrano[4,3-b]pyran-2-one

  • Molecular FormulaC12H14Br2O5
  • Average mass398.045 Da
  • Monoisotopic mass395.920776 Da
  • ChemSpider ID26389809

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(7R)-3,8-Dibrom-4,7-dimethoxy-7,8-dimethyl-7,8-dihydro-2H,5H-pyrano[4,3-b]pyran-2-on [German] [ACD/IUPAC Name]
(7R)-3,8-Dibromo-4,7-dimethoxy-7,8-dimethyl-7,8-dihydro-2H,5H-pyrano[4,3-b]pyran-2-one [ACD/IUPAC Name]
(7R)-3,8-Dibromo-4,7-diméthoxy-7,8-diméthyl-7,8-dihydro-2H,5H-pyrano[4,3-b]pyran-2-one [French] [ACD/IUPAC Name]
2H,5H-Pyrano[4,3-b]pyran-2-one, 3,8-dibromo-7,8-dihydro-4,7-dimethoxy-7,8-dimethyl-, (7R)- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 474.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.7±3.0 kJ/mol
Flash Point: 240.5±28.7 °C
Index of Refraction: 1.581
Molar Refractivity: 75.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.72
ACD/LogD (pH 5.5): 2.24
ACD/BCF (pH 5.5): 29.94
ACD/KOC (pH 5.5): 396.55
ACD/LogD (pH 7.4): 2.24
ACD/BCF (pH 7.4): 29.94
ACD/KOC (pH 7.4): 396.55
Polar Surface Area: 54 Å2
Polarizability: 29.7±0.5 10-24cm3
Surface Tension: 49.6±5.0 dyne/cm
Molar Volume: 224.9±5.0 cm3

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