ChemSpider 2D Image | 1-O-[(4,5-Dihydroxy-9,10-dioxo-9,10-dihydro-2-anthracenyl)carbonyl]hexopyranuronic acid | C21H16O12

1-O-[(4,5-Dihydroxy-9,10-dioxo-9,10-dihydro-2-anthracenyl)carbonyl]hexopyranuronic acid

  • Molecular FormulaC21H16O12
  • Average mass460.345 Da
  • Monoisotopic mass460.064178 Da
  • ChemSpider ID57488155

More details:

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

1-O-[(4,5-Dihydroxy-9,10-dioxo-9,10-dihydro-2-anthracenyl)carbonyl]hexopyranuronic acid [ACD/IUPAC Name]
1-O-[(4,5-Dihydroxy-9,10-dioxo-9,10-dihydro-2-anthracenyl)carbonyl]hexopyranuronsäure [German] [ACD/IUPAC Name]
Acide 1-O-[(4,5-dihydroxy-9,10-dioxo-9,10-dihydro-2-anthracényl)carbonyl]hexopyranuronique [French] [ACD/IUPAC Name]
Hexopyranuronic acid, 1-O-[(9,10-dihydro-4,5-dihydroxy-9,10-dioxo-2-anthracenyl)carbonyl]- [ACD/Index Name]
RHEIN ACYL-β-D-GLUCURONIDE

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

Density: 1.9±0.1 g/cm3
Boiling Point: 869.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.3±3.0 kJ/mol
Flash Point: 308.1±27.8 °C
Index of Refraction: 1.777
Molar Refractivity: 102.1±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 4.75
ACD/LogD (pH 5.5): -0.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 208 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 129.5±5.0 dyne/cm
Molar Volume: 244.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement