ChemSpider 2D Image | 6-Carboxy-8-hydroxy-9,10-dioxo-9,10-dihydro-1-anthracenyl beta-D-erythro-hexopyranosiduronic acid | C21H16O12

6-Carboxy-8-hydroxy-9,10-dioxo-9,10-dihydro-1-anthracenyl β-D-erythro-hexopyranosiduronic acid

  • Molecular FormulaC21H16O12
  • Average mass460.345 Da
  • Monoisotopic mass460.064178 Da
  • ChemSpider ID111308752

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

2-Anthracenecarboxylic acid, 5-(β-D-erythro-hexopyranuronosyloxy)-9,10-dihydro-4-hydroxy-9,10-dioxo- [ACD/Index Name]
6-Carboxy-8-hydroxy-9,10-dioxo-9,10-dihydro-1-anthracenyl β-D-erythro-hexopyranosiduronic acid [ACD/IUPAC Name]
6-Carboxy-8-hydroxy-9,10-dioxo-9,10-dihydro-1-anthracenyl-β-D-erythro-hexopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide β-D-érythro-hexopyranosiduronique de 6-carboxy-8-hydroxy-9,10-dioxo-9,10-dihydro-1-anthracényle [French] [ACD/IUPAC 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: 910.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.7±3.0 kJ/mol
Flash Point: 322.2±27.8 °C
Index of Refraction: 1.759
Molar Refractivity: 103.1±0.3 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 0.94
ACD/LogD (pH 5.5): -3.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 208 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 116.2±3.0 dyne/cm
Molar Volume: 250.8±3.0 cm3

Click to predict properties on the Chemicalize site


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