ChemSpider 2D Image | (1S,2R,3S,4R)-1,3,4,8-Tetrahydroxy-6-methoxy-3-methyl-9,10-dioxo-1,2,3,4,9,10-hexahydro-2-anthracenyl acetate | C18H18O9

(1S,2R,3S,4R)-1,3,4,8-Tetrahydroxy-6-methoxy-3-methyl-9,10-dioxo-1,2,3,4,9,10-hexahydro-2-anthracenyl acetate

  • Molecular FormulaC18H18O9
  • Average mass378.330 Da
  • Monoisotopic mass378.095093 Da
  • ChemSpider ID28289662

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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(1S,2R,3S,4R)-1,3,4,8-Tetrahydroxy-6-methoxy-3-methyl-9,10-dioxo-1,2,3,4,9,10-hexahydro-2-anthracenyl acetate [ACD/IUPAC Name]
(1S,2R,3S,4R)-1,3,4,8-Tetrahydroxy-6-methoxy-3-methyl-9,10-dioxo-1,2,3,4,9,10-hexahydro-2-anthracenyl-acetat [German] [ACD/IUPAC Name]
9,10-Anthracenedione, 3-(acetyloxy)-1,2,3,4-tetrahydro-1,2,4,5-tetrahydroxy-7-methoxy-2-methyl-, (1R,2S,3R,4S)- [ACD/Index Name]
Acétate de (1S,2R,3S,4R)-1,3,4,8-tétrahydroxy-6-méthoxy-3-méthyl-9,10-dioxo-1,2,3,4,9,10-hexahydro-2-anthracényle [French] [ACD/IUPAC Name]
altersolanol N

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

Density: 1.6±0.1 g/cm3
Boiling Point: 654.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.3±3.0 kJ/mol
Flash Point: 238.6±25.0 °C
Index of Refraction: 1.666
Molar Refractivity: 87.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.30
ACD/LogD (pH 5.5): 1.19
ACD/BCF (pH 5.5): 4.48
ACD/KOC (pH 5.5): 95.77
ACD/LogD (pH 7.4): -0.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.96
Polar Surface Area: 151 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 84.7±5.0 dyne/cm
Molar Volume: 235.6±5.0 cm3

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