ChemSpider 2D Image | Methyl (4R)-2,4-dihydroxy-4-(4-methoxy-2-oxo-2H-pyran-6-yl)octanoate | C15H22O7

Methyl (4R)-2,4-dihydroxy-4-(4-methoxy-2-oxo-2H-pyran-6-yl)octanoate

  • Molecular FormulaC15H22O7
  • Average mass314.331 Da
  • Monoisotopic mass314.136566 Da
  • ChemSpider ID30770835

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(4R)-2,4-Dihydroxy-4-(4-méthoxy-2-oxo-2H-pyran-6-yl)octanoate de méthyle [French] [ACD/IUPAC Name]
2H-Pyran-6-butanoic acid, γ-butyl-α,γ-dihydroxy-4-methoxy-2-oxo-, methyl ester, (γR)- [ACD/Index Name]
Methyl (4R)-2,4-dihydroxy-4-(4-methoxy-2-oxo-2H-pyran-6-yl)octanoate [ACD/IUPAC Name]
Methyl-(4R)-2,4-dihydroxy-4-(4-methoxy-2-oxo-2H-pyran-6-yl)octanoat [German] [ACD/IUPAC Name]
pestalotiopyrone L

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

Density: 1.2±0.1 g/cm3
Boiling Point: 540.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.1±6.0 kJ/mol
Flash Point: 198.1±23.6 °C
Index of Refraction: 1.526
Molar Refractivity: 77.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.01
ACD/LogD (pH 5.5): 1.60
ACD/BCF (pH 5.5): 9.61
ACD/KOC (pH 5.5): 175.79
ACD/LogD (pH 7.4): 1.60
ACD/BCF (pH 7.4): 9.61
ACD/KOC (pH 7.4): 175.79
Polar Surface Area: 102 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 49.6±5.0 dyne/cm
Molar Volume: 252.0±5.0 cm3

Click to predict properties on the Chemicalize site


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