ChemSpider 2D Image | 8-Hydroxy-6-(hydroxymethyl)-9,10-dioxo-9,10-dihydro-1-anthracenyl (5xi)-beta-D-arabino-hexopyranoside | C21H20O10

8-Hydroxy-6-(hydroxymethyl)-9,10-dioxo-9,10-dihydro-1-anthracenyl (5ξ)-β-D-arabino-hexopyranoside

  • Molecular FormulaC21H20O10
  • Average mass432.378 Da
  • Monoisotopic mass432.105652 Da
  • ChemSpider ID25026711

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(5ξ)-β-D-arabino-Hexopyranoside de 8-hydroxy-6-(hydroxyméthyl)-9,10-dioxo-9,10-dihydro-1-anthracényle [French] [ACD/IUPAC Name]
8-Hydroxy-6-(hydroxymethyl)-9,10-dioxo-9,10-dihydro-1-anthracenyl (5ξ)-β-D-arabino-hexopyranoside [ACD/IUPAC Name]
8-Hydroxy-6-(hydroxymethyl)-9,10-dioxo-9,10-dihydro-1-anthracenyl-(5ξ)-β-D-arabino-hexopyranosid [German] [ACD/IUPAC Name]
9,10-Anthracenedione, 8-[(5ξ)-β-D-arabino-hexopyranosyloxy]-1-hydroxy-3-(hydroxymethyl)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 829.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.4±3.0 kJ/mol
Flash Point: 295.2±27.8 °C
Index of Refraction: 1.726
Molar Refractivity: 102.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -0.10
ACD/LogD (pH 5.5): -0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.02
ACD/LogD (pH 7.4): -1.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.37
Polar Surface Area: 174 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 98.0±3.0 dyne/cm
Molar Volume: 258.4±3.0 cm3

Click to predict properties on the Chemicalize site


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