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

(1S,4S)-1,2,3,4-Tetrahydronaphthalene-1,4-diyl bis(3,4,5-trihydroxybenzoate)

  • Molecular FormulaC24H20O10
  • Average mass468.410 Da
  • Monoisotopic mass468.105652 Da
  • ChemSpider ID28523106

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,4S)-1,2,3,4-Tetrahydronaphthalene-1,4-diyl bis(3,4,5-trihydroxybenzoate) [ACD/IUPAC Name]
Benzoic acid, 3,4,5-trihydroxy-, (1S,4S)-1,2,3,4-tetrahydro-1,4-naphthalenediyl ester [ACD/Index Name]
(1S,4S)-1,2,3,4-Tetrahydronaphthalin-1,4-diyl-bis(3,4,5-trihydroxybenzoat) [German] [ACD/IUPAC Name]
Bis(3,4,5-trihydroxybenzoate) de (1S,4S)-1,2,3,4-tétrahydronaphtalène-1,4-diyle [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 837.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 125.8±3.0 kJ/mol
Flash Point: 291.5±27.8 °C
Index of Refraction: 1.768
Molar Refractivity: 114.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 5.09
ACD/LogD (pH 5.5): 4.04
ACD/BCF (pH 5.5): 685.59
ACD/KOC (pH 5.5): 3716.11
ACD/LogD (pH 7.4): 3.69
ACD/BCF (pH 7.4): 306.21
ACD/KOC (pH 7.4): 1659.75
Polar Surface Area: 174 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 111.4±5.0 dyne/cm
Molar Volume: 276.6±5.0 cm3

Click to predict properties on the Chemicalize site


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