ChemSpider 2D Image | (2R)-1-(6-Oxo-3,6-dihydro-2H-pyran-2-yl)-2-propanyl 3-(3,4-dihydroxyphenyl)propanoate | C17H20O6

(2R)-1-(6-Oxo-3,6-dihydro-2H-pyran-2-yl)-2-propanyl 3-(3,4-dihydroxyphenyl)propanoate

  • Molecular FormulaC17H20O6
  • Average mass320.337 Da
  • Monoisotopic mass320.125977 Da
  • ChemSpider ID74053071

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2R)-1-(6-Oxo-3,6-dihydro-2H-pyran-2-yl)-2-propanyl 3-(3,4-dihydroxyphenyl)propanoate [ACD/IUPAC Name]
(2R)-1-(6-Oxo-3,6-dihydro-2H-pyran-2-yl)-2-propanyl-3-(3,4-dihydroxyphenyl)propanoat [German] [ACD/IUPAC Name]
3-(3,4-Dihydroxyphényl)propanoate de (2R)-1-(6-oxo-3,6-dihydro-2H-pyran-2-yl)-2-propanyle [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 3,4-dihydroxy-, (1R)-2-(3,6-dihydro-6-oxo-2H-pyran-2-yl)-1-methylethyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 546.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.6±3.0 kJ/mol
Flash Point: 199.7±22.2 °C
Index of Refraction: 1.565
Molar Refractivity: 82.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.26
ACD/LogD (pH 5.5): 2.41
ACD/BCF (pH 5.5): 39.92
ACD/KOC (pH 5.5): 487.20
ACD/LogD (pH 7.4): 2.41
ACD/BCF (pH 7.4): 39.60
ACD/KOC (pH 7.4): 483.38
Polar Surface Area: 93 Å2
Polarizability: 32.6±0.5 10-24cm3
Surface Tension: 52.7±3.0 dyne/cm
Molar Volume: 252.3±3.0 cm3

Click to predict properties on the Chemicalize site


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