Found 1 result

Search term: BWHLESPIKLEINO (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Dihexyl 4,4',5,5',6,6'-hexahydroxy-2,2'-biphenyldicarboxylate | C26H34O10

Dihexyl 4,4',5,5',6,6'-hexahydroxy-2,2'-biphenyldicarboxylate

  • Molecular FormulaC26H34O10
  • Average mass506.542 Da
  • Monoisotopic mass506.215210 Da
  • ChemSpider ID8159261

More details:

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

[1,1'-Biphenyl]-2,2'-dicarboxylic acid, 4,4',5,5',6,6'-hexahydroxy-, dihexyl ester [ACD/Index Name]
4,4',5,5',6,6'-Hexahydroxy-2,2'-biphényldicarboxylate de dihexyle [French] [ACD/IUPAC Name]
Dihexyl 4,4',5,5',6,6'-hexahydroxy-2,2'-biphenyldicarboxylate [ACD/IUPAC Name]
Dihexyl-4,4',5,5',6,6'-hexahydroxy-2,2'-biphenyldicarboxylat [German] [ACD/IUPAC Name]
CHEMBL465724
dihexyl 4,4',5,5',6,6'-hexahydroxybiphenyl-2,2'-dicarboxylate
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL465724/
n-dihexyl 2,2',3,3',4,4'-hexahydroxybiphenyl-6,6'-dicarboxylate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 768.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.8±3.0 kJ/mol
Flash Point: 255.0±26.4 °C
Index of Refraction: 1.599
Molar Refractivity: 132.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 4
ACD/LogP: 6.63
ACD/LogD (pH 5.5): 5.93
ACD/BCF (pH 5.5): 18588.68
ACD/KOC (pH 5.5): 39090.79
ACD/LogD (pH 7.4): 5.12
ACD/BCF (pH 7.4): 2916.22
ACD/KOC (pH 7.4): 6132.62
Polar Surface Area: 174 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 60.8±3.0 dyne/cm
Molar Volume: 386.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement