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

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

  • Molecular FormulaC16H16O8
  • Average mass336.293 Da
  • Monoisotopic mass336.084503 Da
  • ChemSpider ID31130471
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(1R,2S,3R,4S)-1,2,3,4,7-Pentahydroxy-5-methoxy-2-methyl-1,2,3,4-tetrahydro-9,10-anthracendion [German] [ACD/IUPAC Name]
(1R,2S,3R,4S)-1,2,3,4,7-Pentahydroxy-5-methoxy-2-methyl-1,2,3,4-tetrahydro-9,10-anthracenedione [ACD/IUPAC Name]
(1R,2S,3R,4S)-1,2,3,4,7-Pentahydroxy-5-méthoxy-2-méthyl-1,2,3,4-tétrahydro-9,10-anthracènedione [French] [ACD/IUPAC Name]
9,10-Anthracenedione, 1,2,3,4-tetrahydro-1,2,3,4,7-pentahydroxy-5-methoxy-2-methyl-, (1R,2S,3R,4S)- [ACD/Index Name]
Altersolanol D

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

Density: 1.7±0.1 g/cm3
Boiling Point: 685.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.5±3.0 kJ/mol
Flash Point: 257.2±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: 1.96
ACD/LogD (pH 5.5): 0.72
ACD/BCF (pH 5.5): 2.03
ACD/KOC (pH 5.5): 55.84
ACD/LogD (pH 7.4): -0.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.76
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

Click to predict properties on the Chemicalize site






Advertisement