ChemSpider 2D Image | Valoneic acid | C21H14O13

Valoneic acid

  • Molecular FormulaC21H14O13
  • Average mass474.328 Da
  • Monoisotopic mass474.043427 Da
  • ChemSpider ID26233367

More details:






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

[1,1'-Biphenyl]-2,2'-dicarboxylic acid, 4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4',5,5'-trihydroxy- [ACD/Index Name]
4-(6-Carboxy-2,3,4-trihydroxyphenoxy)-4',5,5'-trihydroxy-2,2'-biphenyldicarbonsäure [German] [ACD/IUPAC Name]
4-(6-Carboxy-2,3,4-trihydroxyphenoxy)-4',5,5'-trihydroxy-2,2'-biphenyldicarboxylic acid [ACD/IUPAC Name]
Acide 4-(6-carboxy-2,3,4-trihydroxyphénoxy)-4',5,5'-trihydroxy-2,2'-biphényldicarboxylique [French] [ACD/IUPAC Name]
Valoneic acid [Wiki]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.9±0.1 g/cm3
Boiling Point: 789.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.4±3.0 kJ/mol
Flash Point: 278.5±26.4 °C
Index of Refraction: 1.810
Molar Refractivity: 109.4±0.3 cm3
#H bond acceptors: 13
#H bond donors: 9
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -0.01
ACD/LogD (pH 5.5): -4.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 243 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 125.4±3.0 dyne/cm
Molar Volume: 253.5±3.0 cm3

Click to predict properties on the Chemicalize site





Feedback Form