ChemSpider 2D Image | (5S)-1,5,7,9,11,14-Hexahydroxy-3-methyl-8,13-dioxo-5,6,8,13-tetrahydrobenzo[a]tetracene-2-carboxylic acid | C24H16O10

(5S)-1,5,7,9,11,14-Hexahydroxy-3-methyl-8,13-dioxo-5,6,8,13-tetrahydrobenzo[a]tetracene-2-carboxylic acid

  • Molecular FormulaC24H16O10
  • Average mass464.378 Da
  • Monoisotopic mass464.074341 Da
  • ChemSpider ID32799068

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5S)-1,5,7,9,11,14-Hexahydroxy-3-methyl-8,13-dioxo-5,6,8,13-tetrahydrobenzo[a]tetracen-2-carbonsäure [German] [ACD/IUPAC Name]
(5S)-1,5,7,9,11,14-Hexahydroxy-3-methyl-8,13-dioxo-5,6,8,13-tetrahydrobenzo[a]tetracene-2-carboxylic acid [ACD/IUPAC Name]
Acide (5S)-1,5,7,9,11,14-hexahydroxy-3-méthyl-8,13-dioxo-5,6,8,13-tétrahydrobenzo[a]tétracène-2-carboxylique [French] [ACD/IUPAC Name]
Benzo[a]naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-1,5,7,9,11,14-hexahydroxy-3-methyl-8,13-dioxo-, (5S)- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 885.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.8±3.0 kJ/mol
Flash Point: 503.0±30.8 °C
Index of Refraction: 1.853
Molar Refractivity: 113.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 3
ACD/LogP: 6.52
ACD/LogD (pH 5.5): 2.45
ACD/BCF (pH 5.5): 6.66
ACD/KOC (pH 5.5): 14.91
ACD/LogD (pH 7.4): 0.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 193 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 122.5±3.0 dyne/cm
Molar Volume: 253.6±3.0 cm3

Click to predict properties on the Chemicalize site


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