ChemSpider 2D Image | (2S,3R,4aR,12bS)-2,3,4a,8-Tetrahydroxy-12b-{[(2R,5R,6R)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-3-methyl-3,4,4a,12b-tetrahydro-1,7,12(2H)-tetraphenetrione | C25H26O10

(2S,3R,4aR,12bS)-2,3,4a,8-Tetrahydroxy-12b-{[(2R,5R,6R)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-3-methyl-3,4,4a,12b-tetrahydro-1,7,12(2H)-tetraphenetrione

  • Molecular FormulaC25H26O10
  • Average mass486.468 Da
  • Monoisotopic mass486.152588 Da
  • ChemSpider ID28646331

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2S,3R,4aR,12bS)-2,3,4a,8-Tetrahydroxy-12b-{[(2R,5R,6R)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-3-methyl-3,4,4a,12b-tetrahydro-1,7,12(2H)-tetraphenetrione [ACD/IUPAC Name]
(2S,3R,4aR,12bS)-2,3,4a,8-Tétrahydroxy-12b-{[(2R,5R,6R)-5-hydroxy-6-méthyltétrahydro-2H-pyran-2-yl]oxy}-3-méthyl-3,4,4a,12b-tétrahydro-1,7,12(2H)-tétraphènetrione [French] [ACD/IUPAC Name]
(2S,3R,4aR,12bS)-2,3,4a,8-Tetrahydroxy-12b-{[(2R,5R,6R)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-3-methyl-3,4,4a,12b-tetrahydro-1,7,12(2H)-tetraphentrion [German] [ACD/IUPAC Name]
Benz[a]anthracene-1,7,12(2H)-trione, 3,4,4a,12b-tetrahydro-2,3,4a,8-tetrahydroxy-3-methyl-12b-[[(2R,5R,6R)-tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl]oxy]-, (2S,3R,4aR,12bS)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 801.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.3±3.0 kJ/mol
Flash Point: 275.8±27.8 °C
Index of Refraction: 1.701
Molar Refractivity: 117.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 4.50
ACD/LogD (pH 5.5): 2.90
ACD/BCF (pH 5.5): 91.71
ACD/KOC (pH 5.5): 856.56
ACD/LogD (pH 7.4): 1.94
ACD/BCF (pH 7.4): 10.06
ACD/KOC (pH 7.4): 93.98
Polar Surface Area: 171 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 89.6±5.0 dyne/cm
Molar Volume: 303.3±5.0 cm3

Click to predict properties on the Chemicalize site


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