ChemSpider 2D Image | 5-{[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]oxy}-3,4-dihydroxy-1-cyclohexene-1-carboxylate | C16H15O8

5-{[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]oxy}-3,4-dihydroxy-1-cyclohexene-1-carboxylate

  • Molecular FormulaC16H15O8
  • Average mass335.286 Da
  • Monoisotopic mass335.077240 Da
  • ChemSpider ID24784746

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

1-Cyclohexene-1-carboxylic acid, 5-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-3,4-dihydroxy-, ion(1-) [ACD/Index Name]
5-{[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]oxy}-3,4-dihydroxy-1-cyclohexen-1-carboxylat [German] [ACD/IUPAC Name]
5-{[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]oxy}-3,4-dihydroxy-1-cyclohexene-1-carboxylate [ACD/IUPAC Name]
5-{[(2E)-3-(3,4-Dihydroxyphényl)-2-propenoyl]oxy}-3,4-dihydroxy-1-cyclohexène-1-carboxylate [French] [ACD/IUPAC Name]
caffeoylshikimate

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

Density:
Boiling Point: 635.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.7±3.0 kJ/mol
Flash Point: 236.5±25.0 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 0.65
ACD/LogD (pH 5.5): -0.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.39
ACD/LogD (pH 7.4): -2.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 147 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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