ChemSpider 2D Image | (5Z)-3-C-Carboxy-5,6-dideoxy-6-(3,4-dihydroxyphenyl)hex-5-en-4-ulosonic acid | C13H12O9

(5Z)-3-C-Carboxy-5,6-dideoxy-6-(3,4-dihydroxyphenyl)hex-5-en-4-ulosonic acid

  • Molecular FormulaC13H12O9
  • Average mass312.229 Da
  • Monoisotopic mass312.048126 Da
  • ChemSpider ID67157486

  • Double-bond stereo - Double-bond stereo

More details:

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

(5Z)-3-C-Carboxy-5,6-dideoxy-6-(3,4-dihydroxyphenyl)hex-5-en-4-ulosonic acid [ACD/IUPAC Name]
Acide (5Z)-3-C-carboxy-5,6-didésoxy-6-(3,4-dihydroxyphényl)hex-5-én-4-ulosonique [French] [ACD/IUPAC Name]
Hex-5-en-4-ulosonic acid, 3-C-carboxy-5,6-dideoxy-6-(3,4-dihydroxyphenyl)-, (5Z)- [ACD/Index Name]
Cis-Caffeoyl tartaric acid

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

Density: 1.8±0.1 g/cm3
Boiling Point: 618.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.4±3.0 kJ/mol
Flash Point: 341.9±28.0 °C
Index of Refraction: 1.740
Molar Refractivity: 70.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.54
ACD/LogD (pH 5.5): -3.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 173 Å2
Polarizability: 28.0±0.5 10-24cm3
Surface Tension: 115.5±3.0 dyne/cm
Molar Volume: 175.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement