ChemSpider 2D Image | 4,5,7-Trihydroxy-3-(1-hydroxy-5-oxo-2-hexanyl)-9,10-dioxo-9,10-dihydro-2-anthracenolate | C20H17O8

4,5,7-Trihydroxy-3-(1-hydroxy-5-oxo-2-hexanyl)-9,10-dioxo-9,10-dihydro-2-anthracenolate

  • Molecular FormulaC20H17O8
  • Average mass385.345 Da
  • Monoisotopic mass385.092896 Da
  • ChemSpider ID28533690

  • Charge - Charge

More details:

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

4,5,7-Trihydroxy-3-(1-hydroxy-5-oxo-2-hexanyl)-9,10-dioxo-9,10-dihydro-2-anthracenolat [German] [ACD/IUPAC Name]
4,5,7-Trihydroxy-3-(1-hydroxy-5-oxo-2-hexanyl)-9,10-dioxo-9,10-dihydro-2-anthracenolate [ACD/IUPAC Name]
4,5,7-Trihydroxy-3-(1-hydroxy-5-oxo-2-hexanyl)-9,10-dioxo-9,10-dihydro-2-anthracénolate [French] [ACD/IUPAC Name]
9,10-Anthracenedione, 1,3,6,8-tetrahydroxy-2-[1-(hydroxymethyl)-4-oxopentyl]-, ion(1-) [ACD/Index Name]
4,5,7-trihydroxy-3-(1-hydroxy-5-oxohexan-2-yl)-9,10-dioxo-9,10-dihydroanthracen-2-olate
versicolorone
versicolorone tricyclic form(1-)
versicolorone(1-)
  • Miscellaneous

    • Chemical Class:

      An organic anion that is the conjugate base of versicolorone, obtained by selective deprotonation of the 2-hydroxy group. ChEBI CHEBI:71635

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

Density:
Boiling Point: 781.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.2±3.0 kJ/mol
Flash Point: 440.1±29.4 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.57
ACD/LogD (pH 5.5): 2.78
ACD/BCF (pH 5.5): 67.37
ACD/KOC (pH 5.5): 615.33
ACD/LogD (pH 7.4): 0.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.62
Polar Surface Area: 155 Å2
Polarizability:
Surface Tension:
Molar Volume:

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