ChemSpider 2D Image | 5-(6-Carboxy-2,3,4-trihydroxyphenoxy)-4,4',5',6,6'-pentahydroxy-2,2'-biphenyldicarboxylic acid | C21H14O15

5-(6-Carboxy-2,3,4-trihydroxyphenoxy)-4,4',5',6,6'-pentahydroxy-2,2'-biphenyldicarboxylic acid

  • Molecular FormulaC21H14O15
  • Average mass506.327 Da
  • Monoisotopic mass506.033264 Da
  • ChemSpider ID28679742

More details:

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

[1,1'-Biphenyl]-2,2'-dicarboxylic acid, 5-(6-carboxy-2,3,4-trihydroxyphenoxy)-4,4',5',6,6'-pentahydroxy- [ACD/Index Name]
5-(6-Carboxy-2,3,4-trihydroxyphenoxy)-4,4',5',6,6'-pentahydroxy-2,2'-biphenyldicarbonsäure [German] [ACD/IUPAC Name]
5-(6-Carboxy-2,3,4-trihydroxyphenoxy)-4,4',5',6,6'-pentahydroxy-2,2'-biphenyldicarboxylic acid [ACD/IUPAC Name]
Acide 5-(6-carboxy-2,3,4-trihydroxyphénoxy)-4,4',5',6,6'-pentahydroxy-2,2'-biphényldicarboxylique [French] [ACD/IUPAC Name]
[1,1'-BIPHENYL]-2,2'-DICARBOXYLICACID, 5-(6-CARBOXY-2,3,4-TRIHYDROXYPHENOXY)-4,4',5',6,6'-PENTAHYDROXY-
124814-79-5 [RN]
5-(6-Carboxy-2,3,4-trihydroxyphenoxy)-4,4',5',6,6'-pentahydroxy[1,1'-biphenyl]-2,2'-dicarboxylic acid
5-(6-Carboxy-2,3,4-trihydroxyphenoxy)-4,4',5',6,6'-pentahydroxy-[1,1'-biphenyl]-2,2'-dicarboxylic acid

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

Density: 2.0±0.1 g/cm3
Boiling Point: 798.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 121.7±3.0 kJ/mol
Flash Point: 279.1±26.4 °C
Index of Refraction: 1.864
Molar Refractivity: 113.1±0.3 cm3
#H bond acceptors: 15
#H bond donors: 11
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -1.80
ACD/LogD (pH 5.5): -5.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 283 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 151.5±3.0 dyne/cm
Molar Volume: 250.3±3.0 cm3

Click to predict properties on the Chemicalize site


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