ChemSpider 2D Image | 1,5-Anhydro-1-(4,5-dihydroxy-2-methyl-10-oxo-9,10-dihydro-9-anthracenyl)hexitol | C21H22O8

1,5-Anhydro-1-(4,5-dihydroxy-2-methyl-10-oxo-9,10-dihydro-9-anthracenyl)hexitol

  • Molecular FormulaC21H22O8
  • Average mass402.395 Da
  • Monoisotopic mass402.131470 Da
  • ChemSpider ID35014786

More details:

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

1,5-Anhydro-1-(4,5-dihydroxy-2-methyl-10-oxo-9,10-dihydro-9-anthracenyl)hexitol [German] [ACD/IUPAC Name]
1,5-Anhydro-1-(4,5-dihydroxy-2-methyl-10-oxo-9,10-dihydro-9-anthracenyl)hexitol [ACD/IUPAC Name]
1,5-Anhydro-1-(4,5-dihydroxy-2-méthyl-10-oxo-9,10-dihydro-9-anthracényl)hexitol [French] [ACD/IUPAC Name]
Hexitol, 1,5-anhydro-1-C-(9,10-dihydro-4,5-dihydroxy-2-methyl-10-oxo-9-anthracenyl)- [ACD/Index Name]
1,8-dihydroxy-3-methyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one
11-Deoxyaloin
Chrysaloin

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

Density: 1.6±0.1 g/cm3
Boiling Point: 689.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.1±3.0 kJ/mol
Flash Point: 245.9±25.0 °C
Index of Refraction: 1.716
Molar Refractivity: 100.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 3.50
ACD/LogD (pH 5.5): 2.81
ACD/BCF (pH 5.5): 80.03
ACD/KOC (pH 5.5): 796.80
ACD/LogD (pH 7.4): 2.33
ACD/BCF (pH 7.4): 26.38
ACD/KOC (pH 7.4): 262.66
Polar Surface Area: 148 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 88.1±3.0 dyne/cm
Molar Volume: 256.4±3.0 cm3

Click to predict properties on the Chemicalize site


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