ChemSpider 2D Image | (1R,2R,3R,4S)-1,2,3,4,5-Pentahydroxy-7-methoxy-2-methyl-1,2,3,4-tetrahydro-9,10-anthracenedione | C16H16O8

(1R,2R,3R,4S)-1,2,3,4,5-Pentahydroxy-7-methoxy-2-methyl-1,2,3,4-tetrahydro-9,10-anthracenedione

  • Molecular FormulaC16H16O8
  • Average mass336.293 Da
  • Monoisotopic mass336.084503 Da
  • ChemSpider ID110805718

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,2R,3R,4S)-1,2,3,4,5-Pentahydroxy-7-methoxy-2-methyl-1,2,3,4-tetrahydro-9,10-anthracendion [German] [ACD/IUPAC Name]
(1R,2R,3R,4S)-1,2,3,4,5-Pentahydroxy-7-methoxy-2-methyl-1,2,3,4-tetrahydro-9,10-anthracenedione [ACD/IUPAC Name]
(1R,2R,3R,4S)-1,2,3,4,5-Pentahydroxy-7-méthoxy-2-méthyl-1,2,3,4-tétrahydro-9,10-anthracènedione [French] [ACD/IUPAC Name]
9,10-Anthracenedione, 1,2,3,4-tetrahydro-1,2,3,4,5-pentahydroxy-7-methoxy-2-methyl-, (1R,2R,3R,4S)- [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: 656.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.6±3.0 kJ/mol
Flash Point: 246.5±25.0 °C
Index of Refraction: 1.719
Molar Refractivity: 78.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 2.68
ACD/LogD (pH 5.5): 1.02
ACD/BCF (pH 5.5): 3.32
ACD/KOC (pH 5.5): 77.65
ACD/LogD (pH 7.4): -0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.14
Polar Surface Area: 145 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 100.6±5.0 dyne/cm
Molar Volume: 197.7±5.0 cm3

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