ChemSpider 2D Image | (5R,7S)-5,7,9,10-Tetrahydroxy-2-methoxy-7-methyl-5,6,7,8-tetrahydro-1,4-anthracenedione | C16H16O7

(5R,7S)-5,7,9,10-Tetrahydroxy-2-methoxy-7-methyl-5,6,7,8-tetrahydro-1,4-anthracenedione

  • Molecular FormulaC16H16O7
  • Average mass320.294 Da
  • Monoisotopic mass320.089600 Da
  • ChemSpider ID58842457

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(5R,7S)-5,7,9,10-Tetrahydroxy-2-methoxy-7-methyl-5,6,7,8-tetrahydro-1,4-anthracendion [German] [ACD/IUPAC Name]
(5R,7S)-5,7,9,10-Tetrahydroxy-2-methoxy-7-methyl-5,6,7,8-tetrahydro-1,4-anthracenedione [ACD/IUPAC Name]
(5R,7S)-5,7,9,10-Tétrahydroxy-2-méthoxy-7-méthyl-5,6,7,8-tétrahydro-1,4-anthracènedione [French] [ACD/IUPAC Name]
1,4-Anthracenedione, 5,6,7,8-tetrahydro-5,7,9,10-tetrahydroxy-2-methoxy-7-methyl-, (5R,7S)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 594.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.1±3.0 kJ/mol
Flash Point: 223.6±23.6 °C
Index of Refraction: 1.701
Molar Refractivity: 76.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.88
ACD/LogD (pH 5.5): 1.51
ACD/BCF (pH 5.5): 8.28
ACD/KOC (pH 5.5): 156.86
ACD/LogD (pH 7.4): 1.01
ACD/BCF (pH 7.4): 2.58
ACD/KOC (pH 7.4): 48.80
Polar Surface Area: 124 Å2
Polarizability: 30.4±0.5 10-24cm3
Surface Tension: 91.4±5.0 dyne/cm
Molar Volume: 198.3±5.0 cm3

Click to predict properties on the Chemicalize site


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