ChemSpider 2D Image | (3R)-3,8,9,10-Tetrahydroxy-6-methyl-3,4-dihydro-1(2H)-anthracenone | C15H14O5

(3R)-3,8,9,10-Tetrahydroxy-6-methyl-3,4-dihydro-1(2H)-anthracenone

  • Molecular FormulaC15H14O5
  • Average mass274.269 Da
  • Monoisotopic mass274.084137 Da
  • ChemSpider ID75578800

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-3,8,9,10-Tetrahydroxy-6-methyl-3,4-dihydro-1(2H)-anthracenon [German] [ACD/IUPAC Name]
(3R)-3,8,9,10-Tetrahydroxy-6-methyl-3,4-dihydro-1(2H)-anthracenone [ACD/IUPAC Name]
(3R)-3,8,9,10-Tétrahydroxy-6-méthyl-3,4-dihydro-1(2H)-anthracénone [French] [ACD/IUPAC Name]
1(2H)-Anthracenone, 3,4-dihydro-3,8,9,10-tetrahydroxy-6-methyl-, (3R)- [ACD/Index Name]
(3R)-3,8,9,10-tetrahydroxy-6-methyl-1,2,3,4-tetrahydroanthracen-1-one
(3R)-3,8,9,10-tetrahydroxy-6-methyl-3,4-dihydro-2H-anthracen-1-one
(3R)-3,8,9,10-tetrahydroxy-6-methyl-3,4-dihydroanthracen-1(2H)-one
  • Miscellaneous

    • Chemical Class:

      A member of the class of anthracenones that is 3,4-dihydroanthracen-1(2H)-one substituted by a methyl group at position 6 and by hydroxy groups at positions 3R, 8, 9 and 10, respectively. ChEBI CHEBI:150021

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

Density: 1.6±0.1 g/cm3
Boiling Point: 507.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.9±3.0 kJ/mol
Flash Point: 274.7±26.6 °C
Index of Refraction: 1.772
Molar Refractivity: 73.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.00
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 32.26
ACD/KOC (pH 5.5): 377.87
ACD/LogD (pH 7.4): 0.95
ACD/BCF (pH 7.4): 1.34
ACD/KOC (pH 7.4): 15.70
Polar Surface Area: 98 Å2
Polarizability: 29.0±0.5 10-24cm3
Surface Tension: 90.8±3.0 dyne/cm
Molar Volume: 175.4±3.0 cm3

Click to predict properties on the Chemicalize site


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