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Search term: 76117771 (Found by CSID)
ChemSpider 2D Image | auxarthrol E | C16H20O9

auxarthrol E

  • Molecular FormulaC16H20O9
  • Average mass356.325 Da
  • Monoisotopic mass356.110718 Da
  • ChemSpider ID76117771

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1S,2R,3R,4aR,9aR,10S)-1,2,3,4a,8,9a,10-Heptahydroxy-6-methoxy-3-methyl-1,3,4,4a,9a,10-hexahydro-9(2H)-anthracenon [German] [ACD/IUPAC Name]
(1S,2R,3R,4aR,9aR,10S)-1,2,3,4a,8,9a,10-Heptahydroxy-6-methoxy-3-methyl-1,3,4,4a,9a,10-hexahydro-9(2H)-anthracenone [ACD/IUPAC Name]
(1S,2R,3R,4aR,9aR,10S)-1,2,3,4a,8,9a,10-Heptahydroxy-6-méthoxy-3-méthyl-1,3,4,4a,9a,10-hexahydro-9(2H)-anthracénone [French] [ACD/IUPAC Name]
9(2H)-Anthracenone, 1,3,4,4a,9a,10-hexahydro-1,2,3,4a,8,9a,10-heptahydroxy-6-methoxy-3-methyl-, (1S,2R,3R,4aR,9aR,10S)- [ACD/Index Name]
auxarthrol E

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

Density: 1.8±0.1 g/cm3
Boiling Point: 576.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.8±3.0 kJ/mol
Flash Point: 211.8±23.6 °C
Index of Refraction: 1.774
Molar Refractivity: 82.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 2.51
ACD/LogD (pH 5.5): 0.88
ACD/BCF (pH 5.5): 2.73
ACD/KOC (pH 5.5): 70.88
ACD/LogD (pH 7.4): 0.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 21.78
Polar Surface Area: 168 Å2
Polarizability: 32.6±0.5 10-24cm3
Surface Tension: 131.6±3.0 dyne/cm
Molar Volume: 197.0±3.0 cm3

Click to predict properties on the Chemicalize site


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