ChemSpider 2D Image | [4,5-Dihydroxy-9,10-dioxo-3-(3-oxopentanoyl)-9,10-dihydro-2-anthracenyl]acetate | C21H15O8

[4,5-Dihydroxy-9,10-dioxo-3-(3-oxopentanoyl)-9,10-dihydro-2-anthracenyl]acetate

  • Molecular FormulaC21H15O8
  • Average mass395.340 Da
  • Monoisotopic mass395.077240 Da
  • ChemSpider ID29368521

  • Charge - Charge

More details:

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

[4,5-Dihydroxy-9,10-dioxo-3-(3-oxopentanoyl)-9,10-dihydro-2-anthracenyl]acetat [German] [ACD/IUPAC Name]
[4,5-Dihydroxy-9,10-dioxo-3-(3-oxopentanoyl)-9,10-dihydro-2-anthracenyl]acetate [ACD/IUPAC Name]
[4,5-Dihydroxy-9,10-dioxo-3-(3-oxopentanoyl)-9,10-dihydro-2-anthracényl]acétate [French] [ACD/IUPAC Name]
2-Anthraceneacetic acid, 3-(1,3-dioxopentyl)-9,10-dihydro-4,5-dihydroxy-9,10-dioxo-, ion(1-) [ACD/Index Name]
[4,5-dihydroxy-9,10-dioxo-3-(3-oxopentanoyl)-9,10-dihydroanthracen-2-yl]acetate
aklanonate
  • Miscellaneous

    • Chemical Class:

      An oxo monocarboxylic acid anion that is the monoanion obtained by the deprotonation of the carboxy group of aklanonic acid. ChEBI CHEBI:75309

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

Density:
Boiling Point: 717.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.1±3.0 kJ/mol
Flash Point: 401.9±29.4 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.72
ACD/LogD (pH 5.5): 1.88
ACD/BCF (pH 5.5): 3.68
ACD/KOC (pH 5.5): 15.69
ACD/LogD (pH 7.4): -0.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 149 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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