ChemSpider 2D Image | 8,8'-Bis[(E)-(hydroxyimino)methyl]-5,5'-diisopropyl-3,3'-dimethyl-2,2'-binaphthalene-1,1',6,6',7,7'-hexol | C30H32N2O8

8,8'-Bis[(E)-(hydroxyimino)methyl]-5,5'-diisopropyl-3,3'-dimethyl-2,2'-binaphthalene-1,1',6,6',7,7'-hexol

  • Molecular FormulaC30H32N2O8
  • Average mass548.584 Da
  • Monoisotopic mass548.215881 Da
  • ChemSpider ID28635769

  • Double-bond stereo - Double-bond stereo

More details:

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

[2,2'-Binaphthalene]-8,8'-dicarboxaldehyde, 1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)-, dioxime [ACD/Index Name]
8,8'-Bis[(E)-(hydroxyimino)méthyl]-5,5'-diisopropyl-3,3'-diméthyl-2,2'-binaphtalène-1,1',6,6',7,7'-hexol [French] [ACD/IUPAC Name]
8,8'-Bis[(E)-(hydroxyimino)methyl]-5,5'-diisopropyl-3,3'-dimethyl-2,2'-binaphthalene-1,1',6,6',7,7'-hexol [ACD/IUPAC Name]
8,8'-Bis[(E)-(hydroxyimino)methyl]-5,5'-diisopropyl-3,3'-dimethyl-2,2'-binaphthalin-1,1',6,6',7,7'-hexol [German] [ACD/IUPAC Name]
1,1',6,6',7,7'-hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-2,2'-binaphthalene-8,8'-dicarbaldehyde dioxime
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3349372/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 763.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.7±3.0 kJ/mol
Flash Point: 535.5±22.1 °C
Index of Refraction: 1.666
Molar Refractivity: 142.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 8
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 4
ACD/LogP: 6.70
ACD/LogD (pH 5.5): 5.55
ACD/BCF (pH 5.5): 9735.63
ACD/KOC (pH 5.5): 24734.89
ACD/LogD (pH 7.4): 5.00
ACD/BCF (pH 7.4): 2714.21
ACD/KOC (pH 7.4): 6895.88
Polar Surface Area: 187 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 52.9±7.0 dyne/cm
Molar Volume: 383.1±7.0 cm3

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