Found 1 result

Search term: 78436536 (Found by CSID)
ChemSpider 2D Image | (1R,2S,3S,4aR,9aS)-1,2,3,4a,8,9a-Hexahydroxy-6-methoxy-3-methyl-1,2,3,4,4a,9a-hexahydro-9,10-anthracenedione | C16H18O9

(1R,2S,3S,4aR,9aS)-1,2,3,4a,8,9a-Hexahydroxy-6-methoxy-3-methyl-1,2,3,4,4a,9a-hexahydro-9,10-anthracenedione

  • Molecular FormulaC16H18O9
  • Average mass354.309 Da
  • Monoisotopic mass354.095093 Da
  • ChemSpider ID78436536

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R,2S,3S,4aR,9aS)-1,2,3,4a,8,9a-Hexahydroxy-6-methoxy-3-methyl-1,2,3,4,4a,9a-hexahydro-9,10-anthracendion [German] [ACD/IUPAC Name]
(1R,2S,3S,4aR,9aS)-1,2,3,4a,8,9a-Hexahydroxy-6-methoxy-3-methyl-1,2,3,4,4a,9a-hexahydro-9,10-anthracenedione [ACD/IUPAC Name]
(1R,2S,3S,4aR,9aS)-1,2,3,4a,8,9a-Hexahydroxy-6-méthoxy-3-méthyl-1,2,3,4,4a,9a-hexahydro-9,10-anthracènedione [French] [ACD/IUPAC Name]
9,10-Anthracenedione, 1,2,3,4,4a,9a-hexahydro-1,2,3,4a,8,9a-hexahydroxy-6-methoxy-3-methyl-, (1R,2S,3S,4aR,9aS)- [ACD/Index Name]
Auxarthrol B

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

Density: 1.8±0.1 g/cm3
Boiling Point: 643.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.8±3.0 kJ/mol
Flash Point: 238.8±25.0 °C
Index of Refraction: 1.758
Molar Refractivity: 80.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 4.04
ACD/LogD (pH 5.5): 1.91
ACD/BCF (pH 5.5): 15.89
ACD/KOC (pH 5.5): 239.45
ACD/LogD (pH 7.4): 0.77
ACD/BCF (pH 7.4): 1.15
ACD/KOC (pH 7.4): 17.40
Polar Surface Area: 165 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 125.2±3.0 dyne/cm
Molar Volume: 196.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement