ChemSpider 2D Image | D-prephenyl lactate | C13H14O8

D-prephenyl lactate

  • Molecular FormulaC13H14O8
  • Average mass298.246 Da
  • Monoisotopic mass298.068878 Da
  • ChemSpider ID26333136

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2,5-Cyclohexadiene-1-propanoic acid, 1-carboxy-4-[(2R)-2-hydroxy-1-oxopropoxy]-α-oxo-, cis- [ACD/Index Name]
Acide cis-1-(2-carboxy-2-oxoéthyl)-4-{[(2R)-2-hydroxypropanoyl]oxy}-2,5-cyclohexadiène-1-carboxylique [French] [ACD/IUPAC Name]
cis-1-(2-Carboxy-2-oxoethyl)-4-{[(2R)-2-hydroxypropanoyl]oxy}-2,5-cyclohexadien-1-carbonsäure [German] [ACD/IUPAC Name]
cis-1-(2-Carboxy-2-oxoethyl)-4-{[(2R)-2-hydroxypropanoyl]oxy}-2,5-cyclohexadiene-1-carboxylic acid [ACD/IUPAC Name]
D-prephenyl lactate
cis-1-(2-carboxy-2-oxoethyl)-4-{[(2R)-2-hydroxypropanoyl]oxy}cyclohexa-2,5-diene-1-carboxylic acid
D-Prephenyllactate

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

Density: 1.5±0.1 g/cm3
Boiling Point: 516.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.7±6.0 kJ/mol
Flash Point: 195.8±23.6 °C
Index of Refraction: 1.584
Molar Refractivity: 66.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -1.62
ACD/LogD (pH 5.5): -5.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 138 Å2
Polarizability: 26.5±0.5 10-24cm3
Surface Tension: 71.8±5.0 dyne/cm
Molar Volume: 199.4±5.0 cm3

Click to predict properties on the Chemicalize site


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