ChemSpider 2D Image | (1R,2S,3S,4aS,9aR,10S)-9a-Chloro-1,2,3,4a,8,10-hexahydroxy-6-methoxy-3-methyl-1,3,4,4a,9a,10-hexahydro-9(2H)-anthracenone | C16H19ClO8

(1R,2S,3S,4aS,9aR,10S)-9a-Chloro-1,2,3,4a,8,10-hexahydroxy-6-methoxy-3-methyl-1,3,4,4a,9a,10-hexahydro-9(2H)-anthracenone

  • Molecular FormulaC16H19ClO8
  • Average mass374.770 Da
  • Monoisotopic mass374.076843 Da
  • ChemSpider ID35517006

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1R,2S,3S,4aS,9aR,10S)-9a-Chlor-1,2,3,4a,8,10-hexahydroxy-6-methoxy-3-methyl-1,3,4,4a,9a,10-hexahydro-9(2H)-anthracenon [German] [ACD/IUPAC Name]
(1R,2S,3S,4aS,9aR,10S)-9a-Chloro-1,2,3,4a,8,10-hexahydroxy-6-methoxy-3-methyl-1,3,4,4a,9a,10-hexahydro-9(2H)-anthracenone [ACD/IUPAC Name]
(1R,2S,3S,4aS,9aR,10S)-9a-Chloro-1,2,3,4a,8,10-hexahydroxy-6-méthoxy-3-méthyl-1,3,4,4a,9a,10-hexahydro-9(2H)-anthracénone [French] [ACD/IUPAC Name]
9(2H)-Anthracenone, 9a-chloro-1,3,4,4a,9a,10-hexahydro-1,2,3,4a,8,10-hexahydroxy-6-methoxy-3-methyl-, (1R,2S,3S,4aS,9aR,10S)- [ACD/Index Name]
Paradictyoarthrin A

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

Density: 1.7±0.1 g/cm3
Boiling Point: 609.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.2±3.0 kJ/mol
Flash Point: 322.4±31.5 °C
Index of Refraction: 1.709
Molar Refractivity: 84.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 2.61
ACD/LogD (pH 5.5): 1.71
ACD/BCF (pH 5.5): 11.53
ACD/KOC (pH 5.5): 197.90
ACD/LogD (pH 7.4): 1.08
ACD/BCF (pH 7.4): 2.73
ACD/KOC (pH 7.4): 46.80
Polar Surface Area: 148 Å2
Polarizability: 33.6±0.5 10-24cm3
Surface Tension: 101.3±5.0 dyne/cm
Molar Volume: 217.2±5.0 cm3

Click to predict properties on the Chemicalize site


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