ChemSpider 2D Image | [(3aR,6R)-2,2-dimethyl-6-propanoyloxy-5-(propanoyloxymethyl)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methyl propanoate | C18H28O9

[(3aR,6R)-2,2-dimethyl-6-propanoyloxy-5-(propanoyloxymethyl)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methyl propanoate

  • Molecular FormulaC18H28O9
  • Average mass388.409 Da
  • Monoisotopic mass388.173340 Da
  • ChemSpider ID21431365

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

Density: 1.2±0.1 g/cm3
Boiling Point: 442.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.0±3.0 kJ/mol
Flash Point: 190.6±28.8 °C
Index of Refraction: 1.492
Molar Refractivity: 92.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 4.06
ACD/LogD (pH 5.5): 3.04
ACD/BCF (pH 5.5): 120.23
ACD/KOC (pH 5.5): 1072.69
ACD/LogD (pH 7.4): 3.04
ACD/BCF (pH 7.4): 120.23
ACD/KOC (pH 7.4): 1072.69
Polar Surface Area: 107 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 43.7±5.0 dyne/cm
Molar Volume: 317.4±5.0 cm3

Click to predict properties on the Chemicalize site


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