ChemSpider 2D Image | (2E,6R)-6-[2-(2,5-Dihydroxyphenyl)-2-oxoethyl]-2-methyl-2-heptenedioic acid | C16H18O7

(2E,6R)-6-[2-(2,5-Dihydroxyphenyl)-2-oxoethyl]-2-methyl-2-heptenedioic acid

  • Molecular FormulaC16H18O7
  • Average mass322.310 Da
  • Monoisotopic mass322.105255 Da
  • ChemSpider ID78440830

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2E,6R)-6-[2-(2,5-Dihydroxyphenyl)-2-oxoethyl]-2-methyl-2-heptendisäure [German] [ACD/IUPAC Name]
(2E,6R)-6-[2-(2,5-Dihydroxyphenyl)-2-oxoethyl]-2-methyl-2-heptenedioic acid [ACD/IUPAC Name]
2-Heptenedioic acid, 6-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-2-methyl-, (2E,6R)- [ACD/Index Name]
Acide (2E,6R)-6-[2-(2,5-dihydroxyphényl)-2-oxoéthyl]-2-méthyl-2-heptènedioïque [French] [ACD/IUPAC Name]
Applanatumol T

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

Density: 1.4±0.1 g/cm3
Boiling Point: 676.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.3±3.0 kJ/mol
Flash Point: 376.9±28.0 °C
Index of Refraction: 1.604
Molar Refractivity: 80.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.25
ACD/LogD (pH 5.5): 0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.91
ACD/LogD (pH 7.4): -2.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 132 Å2
Polarizability: 31.8±0.5 10-24cm3
Surface Tension: 66.5±3.0 dyne/cm
Molar Volume: 232.9±3.0 cm3

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