ChemSpider 2D Image | (1R,3S)-1,2,3,4-Tetrahydro-1,3,8-trihydroxy-6-methoxy-3-methyl-9,10-anthracenedione | C16H16O6

(1R,3S)-1,2,3,4-Tetrahydro-1,3,8-trihydroxy-6-methoxy-3-methyl-9,10-anthracenedione

  • Molecular FormulaC16H16O6
  • Average mass304.295 Da
  • Monoisotopic mass304.094696 Da
  • ChemSpider ID30816829

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,3S)-1,2,3,4-Tetrahydro-1,3,8-trihydroxy-6-methoxy-3-methyl-9,10-anthracenedione
(1R,3S)-1,3,8-Trihydroxy-6-methoxy-3-methyl-1,2,3,4-tetrahydro-9,10-anthracendion [German] [ACD/IUPAC Name]
(1R,3S)-1,3,8-Trihydroxy-6-methoxy-3-methyl-1,2,3,4-tetrahydro-9,10-anthracenedione [ACD/IUPAC Name]
(1R,3S)-1,3,8-Trihydroxy-6-méthoxy-3-méthyl-1,2,3,4-tétrahydro-9,10-anthracènedione [French] [ACD/IUPAC Name]
141042-27-5 [RN]
9,10-Anthracenedione, 1,2,3,4-tetrahydro-1,3,8-trihydroxy-6-methoxy-3-methyl-, (1R,3S)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 611.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.5±3.0 kJ/mol
Flash Point: 232.0±25.0 °C
Index of Refraction: 1.666
Molar Refractivity: 75.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.01
ACD/LogD (pH 5.5): 1.72
ACD/BCF (pH 5.5): 11.41
ACD/KOC (pH 5.5): 190.20
ACD/LogD (pH 7.4): 0.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.65
Polar Surface Area: 104 Å2
Polarizability: 29.7±0.5 10-24cm3
Surface Tension: 76.2±5.0 dyne/cm
Molar Volume: 201.7±5.0 cm3

Click to predict properties on the Chemicalize site


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