Found 1 result

Search term: nogalonate (Found by synonym)

ChemSpider 2D Image | (3-Acetoacetyl-4-hydroxy-5-oxido-9,10-dioxo-9,10-dihydro-2-anthracenyl)acetate | C20H12O8

(3-Acetoacetyl-4-hydroxy-5-oxido-9,10-dioxo-9,10-dihydro-2-anthracenyl)acetate

  • Molecular FormulaC20H12O8
  • Average mass380.306 Da
  • Monoisotopic mass380.054321 Da
  • ChemSpider ID34999540
  • Charge - Charge


More details:






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

(3-Acetoacetyl-4-hydroxy-5-oxido-9,10-dioxo-9,10-dihydro-2-anthracenyl)acetat [German] [ACD/IUPAC Name]
(3-Acetoacetyl-4-hydroxy-5-oxido-9,10-dioxo-9,10-dihydro-2-anthracenyl)acetate [ACD/IUPAC Name]
(3-Acetoacetyl-4-hydroxy-9,10-dioxo-5-oxydo-9,10-dihydro-2-anthracényl)acétate [French] [ACD/IUPAC Name]
2-Anthraceneacetic acid, 3-(1,3-dioxobutyl)-9,10-dihydro-4,5-dihydroxy-9,10-dioxo-, ion(2-) [ACD/Index Name]
[4,5-dihydroxy-9,10-dioxo-3-(3-oxobutanoyl)-9,10-dihydroanthracen-2-yl]acetate
[4-hydroxy-5-oxido-9,10-dioxo-3-(3-oxobutanoyl)-9,10-dihydroanthracen-2-yl]acetate
nogalonate
nogalonate(2-)
  • Miscellaneous
    • Chemical Class:

      An oxo monocarboxylic acid anion obtained by deprotonation of the carboxy as well as the 5-hydroxy group of nogalonic acid. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). ChEBI CHEBI:84897

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point: 718.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.2±3.0 kJ/mol
Flash Point: 402.3±29.4 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.19
ACD/LogD (pH 5.5): 1.49
ACD/BCF (pH 5.5): 1.86
ACD/KOC (pH 5.5): 9.80
ACD/LogD (pH 7.4): -1.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 152 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site






Advertisement