ChemSpider 2D Image | (2R,3S,4aS,9aR,10R)-2,3,5,8-Tetrahydroxy-6,10-dimethoxy-3-methyl-1,3,4,4a,9a,10-hexahydro-9(2H)-anthracenone | C17H22O7

(2R,3S,4aS,9aR,10R)-2,3,5,8-Tetrahydroxy-6,10-dimethoxy-3-methyl-1,3,4,4a,9a,10-hexahydro-9(2H)-anthracenone

  • Molecular FormulaC17H22O7
  • Average mass338.352 Da
  • Monoisotopic mass338.136566 Da
  • ChemSpider ID28528888

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2R,3S,4aS,9aR,10R)-2,3,5,8-Tetrahydroxy-6,10-dimethoxy-3-methyl-1,3,4,4a,9a,10-hexahydro-9(2H)-anthracenon [German] [ACD/IUPAC Name]
(2R,3S,4aS,9aR,10R)-2,3,5,8-Tetrahydroxy-6,10-dimethoxy-3-methyl-1,3,4,4a,9a,10-hexahydro-9(2H)-anthracenone [ACD/IUPAC Name]
(2R,3S,4aS,9aR,10R)-2,3,5,8-Tétrahydroxy-6,10-diméthoxy-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-2,3,5,8-tetrahydroxy-6,10-dimethoxy-3-methyl-, (2R,3S,4aS,9aR,10R)- [ACD/Index Name]
4a-epi-9α-methoxydihydrodeoxybostrycin

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

Density: 1.5±0.1 g/cm3
Boiling Point: 513.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.7±3.0 kJ/mol
Flash Point: 185.6±23.6 °C
Index of Refraction: 1.634
Molar Refractivity: 83.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.52
ACD/LogD (pH 5.5): 1.96
ACD/BCF (pH 5.5): 18.06
ACD/KOC (pH 5.5): 275.94
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 14.54
ACD/KOC (pH 7.4): 222.09
Polar Surface Area: 116 Å2
Polarizability: 33.0±0.5 10-24cm3
Surface Tension: 72.9±5.0 dyne/cm
Molar Volume: 232.8±5.0 cm3

Click to predict properties on the Chemicalize site


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