ChemSpider 2D Image | 1,5-Anhydro-1-[4,5,6-trihydroxy-2-(hydroxymethyl)-10-oxo-9,10-dihydro-9-anthracenyl]hexitol | C21H22O10

1,5-Anhydro-1-[4,5,6-trihydroxy-2-(hydroxymethyl)-10-oxo-9,10-dihydro-9-anthracenyl]hexitol

  • Molecular FormulaC21H22O10
  • Average mass434.393 Da
  • Monoisotopic mass434.121307 Da
  • ChemSpider ID26503423

More details:

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

1,2,8-trihydroxy-6-(hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one
1,5-Anhydro-1-[4,5,6-trihydroxy-2-(hydroxymethyl)-10-oxo-9,10-dihydro-9-anthracenyl]hexitol [German] [ACD/IUPAC Name]
1,5-Anhydro-1-[4,5,6-trihydroxy-2-(hydroxymethyl)-10-oxo-9,10-dihydro-9-anthracenyl]hexitol [ACD/IUPAC Name]
1,5-Anhydro-1-[4,5,6-trihydroxy-2-(hydroxyméthyl)-10-oxo-9,10-dihydro-9-anthracényl]hexitol [French] [ACD/IUPAC Name]
7-Hydroxyaloin
7-Hydroxyaloin B
Hexitol, 1,5-anhydro-1-C-[9,10-dihydro-4,5,6-trihydroxy-2-(hydroxymethyl)-10-oxo-9-anthracenyl]- [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: 780.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.2±3.0 kJ/mol
Flash Point: 276.9±26.4 °C
Index of Refraction: 1.765
Molar Refractivity: 104.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 8
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 1.56
ACD/LogD (pH 5.5): 1.54
ACD/BCF (pH 5.5): 8.67
ACD/KOC (pH 5.5): 161.75
ACD/LogD (pH 7.4): 0.80
ACD/BCF (pH 7.4): 1.56
ACD/KOC (pH 7.4): 29.17
Polar Surface Area: 188 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 110.3±3.0 dyne/cm
Molar Volume: 252.4±3.0 cm3

Click to predict properties on the Chemicalize site


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