Found 1 result

Search term: PBJKPIIRGAZPET (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 5,6,7,8-Tetrahydronaphthalene-1,4-diyl bis(3,4,5-trihydroxybenzoate) | C24H20O10

5,6,7,8-Tetrahydronaphthalene-1,4-diyl bis(3,4,5-trihydroxybenzoate)

  • Molecular FormulaC24H20O10
  • Average mass468.410 Da
  • Monoisotopic mass468.105652 Da
  • ChemSpider ID28523108

More details:






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

5,6,7,8-Tetrahydronaphthalene-1,4-diyl bis(3,4,5-trihydroxybenzoate) [ACD/IUPAC Name]
Benzoic acid, 3,4,5-trihydroxy-, 5,6,7,8-tetrahydro-1,4-naphthalenediyl ester [ACD/Index Name]
5,6,7,8-Tetrahydronaphthalin-1,4-diyl-bis(3,4,5-trihydroxybenzoat) [German] [ACD/IUPAC Name]
Bis(3,4,5-trihydroxybenzoate) de 5,6,7,8-tétrahydronaphtalène-1,4-diyle [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 899.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.1±3.0 kJ/mol
Flash Point: 312.8±27.8 °C
Index of Refraction: 1.733
Molar Refractivity: 117.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 5.17
ACD/LogD (pH 5.5): 4.14
ACD/BCF (pH 5.5): 821.65
ACD/KOC (pH 5.5): 4227.19
ACD/LogD (pH 7.4): 3.73
ACD/BCF (pH 7.4): 322.90
ACD/KOC (pH 7.4): 1661.25
Polar Surface Area: 174 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 87.6±3.0 dyne/cm
Molar Volume: 293.7±3.0 cm3

Click to predict properties on the Chemicalize site






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