ChemSpider 2D Image | 6,6',7,7'-Tetrahydroxy-5,5'-diisopropyl-3,3'-dimethyl-2,2'-binaphthalene-8,8'-dicarboxylic acid | C30H30O8

6,6',7,7'-Tetrahydroxy-5,5'-diisopropyl-3,3'-dimethyl-2,2'-binaphthalene-8,8'-dicarboxylic acid

  • Molecular FormulaC30H30O8
  • Average mass518.554 Da
  • Monoisotopic mass518.194092 Da
  • ChemSpider ID410808

More details:

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

[2,2'-Binaphthalene]-8,8'-dicarboxylic acid, 6,6',7,7'-tetrahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)- [ACD/Index Name]
6,6',7,7'-tetrahydroxy-3,3'-dimethyl-5,5'-di(propan-2-yl)-2,2'-binaphthalene-8,8'-dicarboxylic acid
6,6',7,7'-Tetrahydroxy-5,5'-diisopropyl-3,3'-dimethyl-2,2'-binaphthalene-8,8'-dicarboxylic acid [ACD/IUPAC Name]
6,6',7,7'-Tetrahydroxy-5,5'-diisopropyl-3,3'-dimethyl-2,2'-binaphthalin-8,8'-dicarbonsäure [German] [ACD/IUPAC Name]
Acide 6,6',7,7'-tétrahydroxy-5,5'-diisopropyl-3,3'-diméthyl-2,2'-binaphtalène-8,8'-dicarboxylique [French] [ACD/IUPAC Name]
168787-83-5 [RN]
6,7,6',7'-Tetrahydroxy-5,5'-diisopropyl-3,3'-dimethyl-[2,2']binaphthalenyl-8,8'-dicarboxylic acid
7-(8-Carboxy-6,7-dihydroxy-3-methyl-5-(methylethyl)(2-naphthyl))-2,3-dihydroxy-6-methyl-4-(methylethyl)naphthalenecarboxylic acid
DDGA
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL419662/

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

AIDS051910 [DBID]
AIDS-051910 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 745.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.1±3.0 kJ/mol
Flash Point: 418.7±29.4 °C
Index of Refraction: 1.708
Molar Refractivity: 145.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 9.20
ACD/LogD (pH 5.5): 4.48
ACD/BCF (pH 5.5): 154.89
ACD/KOC (pH 5.5): 88.32
ACD/LogD (pH 7.4): 4.41
ACD/BCF (pH 7.4): 132.82
ACD/KOC (pH 7.4): 75.73
Polar Surface Area: 156 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 68.7±3.0 dyne/cm
Molar Volume: 374.4±3.0 cm3

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