ChemSpider 2D Image | (6R,8aS)-5-Hydroxy-4-methoxy-6,8a-dimethyl-6,8a-dihydro-2H,7H-pyrano[2,3-b]pyran-2-one | C11H14O5

(6R,8aS)-5-Hydroxy-4-methoxy-6,8a-dimethyl-6,8a-dihydro-2H,7H-pyrano[2,3-b]pyran-2-one

  • Molecular FormulaC11H14O5
  • Average mass226.226 Da
  • Monoisotopic mass226.084122 Da
  • ChemSpider ID32778362
  • defined stereocentres - 1 of 2 defined stereocentres


More details:






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

(6R,8aS)-5-Hydroxy-4-methoxy-6,8a-dimethyl-6,8a-dihydro-2H,7H-pyrano[2,3-b]pyran-2-on [German] [ACD/IUPAC Name]
(6R,8aS)-5-Hydroxy-4-methoxy-6,8a-dimethyl-6,8a-dihydro-2H,7H-pyrano[2,3-b]pyran-2-one [ACD/IUPAC Name]
(6R,8aS)-5-Hydroxy-4-méthoxy-6,8a-diméthyl-6,8a-dihydro-2H,7H-pyrano[2,3-b]pyran-2-one [French] [ACD/IUPAC Name]
2H,7H-Pyrano[2,3-b]pyran-2-one, 6,8a-dihydro-5-hydroxy-4-methoxy-6,8a-dimethyl-, (6R,8aS)- [ACD/Index Name]
Chlamydosporol

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

Density: 1.3±0.1 g/cm3
Boiling Point: 423.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 78.3±6.0 kJ/mol
Flash Point: 168.2±22.2 °C
Index of Refraction: 1.545
Molar Refractivity: 54.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.05
ACD/LogD (pH 5.5): -0.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.86
ACD/LogD (pH 7.4): -2.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 65 Å2
Polarizability: 21.8±0.5 10-24cm3
Surface Tension: 46.4±5.0 dyne/cm
Molar Volume: 173.6±5.0 cm3

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