ChemSpider 2D Image | 3-{[(2R,3S,4S)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]oxy}-1,8-dihydroxy-6-methyl-9,10-anthraquinone | C20H18O9

3-{[(2R,3S,4S)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]oxy}-1,8-dihydroxy-6-methyl-9,10-anthraquinone

  • Molecular FormulaC20H18O9
  • Average mass402.352 Da
  • Monoisotopic mass402.095093 Da
  • ChemSpider ID82965596

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

3-{[(2R,3S,4S)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]oxy}-1,8-dihydroxy-6-methyl-9,10-anthrachinon [German] [ACD/IUPAC Name]
3-{[(2R,3S,4S)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]oxy}-1,8-dihydroxy-6-methyl-9,10-anthraquinone [ACD/IUPAC Name]
3-{[(2R,3S,4S)-3,4-Dihydroxy-4-(hydroxyméthyl)tétrahydro-2-furanyl]oxy}-1,8-dihydroxy-6-méthyl-9,10-anthraquinone [French] [ACD/IUPAC Name]
9,10-Anthracenedione, 1,8-dihydroxy-3-methyl-6-[[(2R,3S,4S)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]oxy]- [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: 774.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.3±3.0 kJ/mol
Flash Point: 280.0±26.4 °C
Index of Refraction: 1.727
Molar Refractivity: 96.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 3.66
ACD/LogD (pH 5.5): 2.14
ACD/BCF (pH 5.5): 22.77
ACD/KOC (pH 5.5): 294.35
ACD/LogD (pH 7.4): 0.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.24
Polar Surface Area: 154 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 94.0±3.0 dyne/cm
Molar Volume: 243.0±3.0 cm3

Click to predict properties on the Chemicalize site


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