ChemSpider 2D Image | (1S,2R,3S)-1,3,9,10-Tetrahydroxy-6-methoxy-3-methyl-5,8-dioxo-1,2,3,4,5,8-hexahydro-2-anthracenyl acetate | C18H18O9

(1S,2R,3S)-1,3,9,10-Tetrahydroxy-6-methoxy-3-methyl-5,8-dioxo-1,2,3,4,5,8-hexahydro-2-anthracenyl acetate

  • Molecular FormulaC18H18O9
  • Average mass378.330 Da
  • Monoisotopic mass378.095093 Da
  • ChemSpider ID28529654
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

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

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 615.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.0±3.0 kJ/mol
Flash Point: 223.4±25.0 °C
Index of Refraction: 1.673
Molar Refractivity: 87.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.38
ACD/LogD (pH 5.5): 1.11
ACD/BCF (pH 5.5): 4.09
ACD/KOC (pH 5.5): 94.12
ACD/LogD (pH 7.4): 0.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 19.36
Polar Surface Area: 151 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 87.7±5.0 dyne/cm
Molar Volume: 234.2±5.0 cm3

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