ChemSpider 2D Image | 1,5-Anhydro-2,6-dideoxy-4-O-(6-methyl-5-oxotetrahydro-2H-pyran-2-yl)-1-[4a,8,12b-trihydroxy-3-methyl-3-({6-methyl-5-[(6-methyl-5-oxotetrahydro-2H-pyran-2-yl)oxy]tetrahydro-2H-pyran-2-yl}oxy)-1,7,12-tr ioxo-1,2,3,4,4a,7,12,12b-octahydro-9-tetraphenyl]hexitol | C43H52O16

1,5-Anhydro-2,6-dideoxy-4-O-(6-methyl-5-oxotetrahydro-2H-pyran-2-yl)-1-[4a,8,12b-trihydroxy-3-methyl-3-({6-methyl-5-[(6-methyl-5-oxotetrahydro-2H-pyran-2-yl)oxy]tetrahydro-2H-pyran-2-yl}oxy)-1,7,12-tr ioxo-1,2,3,4,4a,7,12,12b-octahydro-9-tetraphenyl]hexitol

  • Molecular FormulaC43H52O16
  • Average mass824.863 Da
  • Monoisotopic mass824.325562 Da
  • ChemSpider ID112961

More details:

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

1,5-Anhydro-2,6-dideoxy-4-O-(6-methyl-5-oxotetrahydro-2H-pyran-2-yl)-1-[4a,8,12b-trihydroxy-3-methyl-3-({6-methyl-5-[(6-methyl-5-oxotetrahydro-2H-pyran-2-yl)oxy]tetrahydro-2H-pyran-2-yl}oxy)-1,7,12-tr ioxo-1,2,3,4,4a,7,12,12b-octahydro-9-tetraphenyl]hexitol [ACD/IUPAC Name]
1,5-Anhydro-2,6-didesoxy-4-O-(6-methyl-5-oxotetrahydro-2H-pyran-2-yl)-1-[4a,8,12b-trihydroxy-3-methyl-3-({6-methyl-5-[(6-methyl-5-oxotetrahydro-2H-pyran-2-yl)oxy]tetrahydro-2H-pyran-2-yl}oxy)-1,7,12-t rioxo-1,2,3,4,4a,7,12,12b-octahydro-9-tetraphenyl]hexitol [German] [ACD/IUPAC Name]
1,5-Anhydro-2,6-didésoxy-4-O-(6-méthyl-5-oxotétrahydro-2H-pyran-2-yl)-1-[4a,8,12b-trihydroxy-3-méthyl-3-({6-méthyl-5-[(6-méthyl-5-oxotétrahydro-2H-pyran-2-yl)oxy]tétrahydro-2H-pyran-2-yl}oxy)-1,7,12-t rioxo-1,2,3,4,4a,7,12,12b-octahydro-9-tétraphényl]hexitol [French] [ACD/IUPAC Name]
Hexitol, 1,5-anhydro-2,6-dideoxy-1-C-[1,2,3,4,4a,7,12,12b-octahydro-4a,8,12b-trihydroxy-3-methyl-1,7,12-trioxo-3-[[tetrahydro-6-methyl-5-[(tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)oxy]-2H-pyran-2-yl]ox y]benz[a]anthracen-9-yl]-4-O-(tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)- [ACD/Index Name]
99260-70-5 [RN]
Saquayamycin C

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

Density: 1.5±0.1 g/cm3
Boiling Point: 978.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 149.4±3.0 kJ/mol
Flash Point: 293.3±27.8 °C
Index of Refraction: 1.633
Molar Refractivity: 201.8±0.4 cm3
#H bond acceptors: 16
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.85
ACD/LogD (pH 5.5): 2.07
ACD/BCF (pH 5.5): 20.57
ACD/KOC (pH 5.5): 281.27
ACD/LogD (pH 7.4): 0.78
ACD/BCF (pH 7.4): 1.06
ACD/KOC (pH 7.4): 14.53
Polar Surface Area: 231 Å2
Polarizability: 80.0±0.5 10-24cm3
Surface Tension: 71.9±5.0 dyne/cm
Molar Volume: 564.9±5.0 cm3

Click to predict properties on the Chemicalize site


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