ChemSpider 2D Image | 4,5-Dihydroxy-7-methyl-9,10-dioxo-9,10-dihydro-2-anthracenyl 6-deoxy-D-mannopyranoside | C21H20O9

4,5-Dihydroxy-7-methyl-9,10-dioxo-9,10-dihydro-2-anthracenyl 6-deoxy-D-mannopyranoside

  • Molecular FormulaC21H20O9
  • Average mass416.378 Da
  • Monoisotopic mass416.110718 Da
  • ChemSpider ID114100966

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

4,5-Dihydroxy-7-methyl-9,10-dioxo-9,10-dihydro-2-anthracenyl 6-deoxy-D-mannopyranoside [ACD/IUPAC Name]
4,5-Dihydroxy-7-methyl-9,10-dioxo-9,10-dihydro-2-anthracenyl-6-desoxy-D-mannopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-D-mannopyranoside de 4,5-dihydroxy-7-méthyl-9,10-dioxo-9,10-dihydro-2-anthracényle [French] [ACD/IUPAC Name]
9,10-Anthracenedione, 3-[(6-deoxy-D-mannopyranosyl)oxy]-1,8-dihydroxy-6-methyl- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 744.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.9±3.0 kJ/mol
Flash Point: 265.9±26.4 °C
Index of Refraction: 1.706
Molar Refractivity: 101.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 4.34
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 51.57
ACD/KOC (pH 5.5): 527.59
ACD/LogD (pH 7.4): 0.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.71
Polar Surface Area: 154 Å2
Polarizability: 40.2±0.5 10-24cm3
Surface Tension: 86.1±3.0 dyne/cm
Molar Volume: 260.7±3.0 cm3

Click to predict properties on the Chemicalize site


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