ChemSpider 2D Image | Inflatin C | C11H14O5

Inflatin C

  • Molecular FormulaC11H14O5
  • Average mass226.226 Da
  • Monoisotopic mass226.084122 Da
  • ChemSpider ID26617638
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(5R,7S,8R)-5-Hydroxy-4-methoxy-7,8-dimethyl-7,8-dihydro-2H,5H-pyrano[4,3-b]pyran-2-on [German] [ACD/IUPAC Name]
(5R,7S,8R)-5-Hydroxy-4-methoxy-7,8-dimethyl-7,8-dihydro-2H,5H-pyrano[4,3-b]pyran-2-one [ACD/IUPAC Name]
(5R,7S,8R)-5-Hydroxy-4-méthoxy-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, 7,8-dihydro-5-hydroxy-4-methoxy-7,8-dimethyl-, (5R,7S,8R)- [ACD/Index Name]
Inflatin C
(5R,7S,8R)-5-hydroxy-4-methoxy-7,8-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyran-2-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 454.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 82.3±6.0 kJ/mol
Flash Point: 181.5±22.2 °C
Index of Refraction: 1.541
Molar Refractivity: 54.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.97
ACD/LogD (pH 5.5): 0.70
ACD/BCF (pH 5.5): 2.00
ACD/KOC (pH 5.5): 57.11
ACD/LogD (pH 7.4): 0.70
ACD/BCF (pH 7.4): 2.00
ACD/KOC (pH 7.4): 57.10
Polar Surface Area: 65 Å2
Polarizability: 21.7±0.5 10-24cm3
Surface Tension: 45.4±5.0 dyne/cm
Molar Volume: 174.4±5.0 cm3

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