Found 1 result

Search term: 28501912 (Found by CSID)
ChemSpider 2D Image | (1S,2R,3S,4R,4aS,9aR,10R)-1,2,3,4,8,10-Hexahydroxy-6-methoxy-3-methyl-1,3,4,4a,9a,10-hexahydro-9(2H)-anthracenone | C16H20O8

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

  • Molecular FormulaC16H20O8
  • Average mass340.325 Da
  • Monoisotopic mass340.115814 Da
  • ChemSpider ID28501912

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1S,2R,3S,4R,4aS,9aR,10R)-1,2,3,4,8,10-Hexahydroxy-6-methoxy-3-methyl-1,3,4,4a,9a,10-hexahydro-9(2H)-anthracenon [German] [ACD/IUPAC Name]
(1S,2R,3S,4R,4aS,9aR,10R)-1,2,3,4,8,10-Hexahydroxy-6-methoxy-3-methyl-1,3,4,4a,9a,10-hexahydro-9(2H)-anthracenone [ACD/IUPAC Name]
(1S,2R,3S,4R,4aS,9aR,10R)-1,2,3,4,8,10-Hexahydroxy-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-1,2,3,4,8,10-hexahydroxy-6-methoxy-3-methyl-, (1S,2R,3S,4R,4aS,9aR,10R)- [ACD/Index Name]
Ampelanol

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

Density: 1.6±0.1 g/cm3
Boiling Point: 597.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.5±3.0 kJ/mol
Flash Point: 221.2±23.6 °C
Index of Refraction: 1.694
Molar Refractivity: 80.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 1.59
ACD/LogD (pH 5.5): 0.93
ACD/BCF (pH 5.5): 2.96
ACD/KOC (pH 5.5): 75.31
ACD/LogD (pH 7.4): 0.54
ACD/BCF (pH 7.4): 1.23
ACD/KOC (pH 7.4): 31.27
Polar Surface Area: 148 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 91.8±3.0 dyne/cm
Molar Volume: 210.5±3.0 cm3

Click to predict properties on the Chemicalize site


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