ChemSpider 2D Image | 5,6-Anhydro-2,3-dideoxy-2-{(3alpha,5alpha,7alpha,13alpha,17beta)-7-hydroxy-4,4,8-trimethyl-3-[(3-methylbutanoyl)oxy]-14,18-cycloandrostan-17-yl}-6,6-dimethyl-D-xylo-hexofuranose | C35H56O6

5,6-Anhydro-2,3-dideoxy-2-{(3α,5α,7α,13α,17β)-7-hydroxy-4,4,8-trimethyl-3-[(3-methylbutanoyl)oxy]-14,18-cycloandrostan-17-yl}-6,6-dimethyl-D-xylo-hexofuranose

  • Molecular FormulaC35H56O6
  • Average mass572.815 Da
  • Monoisotopic mass572.407715 Da
  • ChemSpider ID28482386

  • defined stereocentres - 12 of 13 defined stereocentres

More details:

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

5,6-Anhydro-2,3-dideoxy-2-{(3α,5α,7α,13α,17β)-7-hydroxy-4,4,8-trimethyl-3-[(3-methylbutanoyl)oxy]-14,18-cycloandrostan-17-yl}-6,6-dimethyl-D-xylo-hexofuranose [ACD/IUPAC Name]
5,6-Anhydro-2,3-didesoxy-2-{(3α,5α,7α,13α,17β)-7-hydroxy-4,4,8-trimethyl-3-[(3-methylbutanoyl)oxy]-14,18-cycloandrostan-17-yl}-6,6-dimethyl-D-xylo-hexofuranose [German] [ACD/IUPAC Name]
5,6-Anhydro-2,3-didésoxy-2-{(3α,5α,7α,13α,17β)-7-hydroxy-4,4,8-triméthyl-3-[(3-méthylbutanoyl)oxy]-14,18-cycloandrostan-17-yl}-6,6-diméthyl-D-xylo-hexofuranose [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 637.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 107.9±6.0 kJ/mol
Flash Point: 192.1±25.0 °C
Index of Refraction: 1.564
Molar Refractivity: 158.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.93
ACD/LogD (pH 5.5): 5.73
ACD/BCF (pH 5.5): 13278.25
ACD/KOC (pH 5.5): 31112.31
ACD/LogD (pH 7.4): 5.73
ACD/BCF (pH 7.4): 13278.22
ACD/KOC (pH 7.4): 31112.25
Polar Surface Area: 89 Å2
Polarizability: 62.7±0.5 10-24cm3
Surface Tension: 48.6±5.0 dyne/cm
Molar Volume: 486.0±5.0 cm3

Click to predict properties on the Chemicalize site


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