ChemSpider 2D Image | (2R,3R)-cis-fertaric acid | C14H14O9

(2R,3R)-cis-fertaric acid

  • Molecular FormulaC14H14O9
  • Average mass326.256 Da
  • Monoisotopic mass326.063782 Da
  • ChemSpider ID30785798

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3R)-2-Hydroxy-3-{[(2Z)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]oxy}bernsteinsäure [German] [ACD/IUPAC Name]
(2R,3R)-2-Hydroxy-3-{[(2Z)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]oxy}succinic acid [ACD/IUPAC Name]
(2R,3R)-cis-fertaric acid
Acide (2R,3R)-2-hydroxy-3-{[(2Z)-3-(4-hydroxy-3-méthoxyphényl)-2-propenoyl]oxy}succinique [French] [ACD/IUPAC Name]
Butanedioic acid, 2-hydroxy-3-[[(2Z)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]oxy]-, (2R,3R)- [ACD/Index Name]
(2R,3R)-2-hydroxy-3-{[(2Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}butanedioic acid
cis-fertaric acid

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

Density: 1.6±0.1 g/cm3
Boiling Point: 577.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.9±3.0 kJ/mol
Flash Point: 216.7±23.6 °C
Index of Refraction: 1.640
Molar Refractivity: 75.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.36
ACD/LogD (pH 5.5): -3.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 151 Å2
Polarizability: 30.0±0.5 10-24cm3
Surface Tension: 76.6±3.0 dyne/cm
Molar Volume: 209.9±3.0 cm3

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