ChemSpider 2D Image | 5,6-Anhydro-2,3-dideoxy-2-{(3alpha,5alpha,7alpha,13alpha,17beta)-7-hydroxy-4,4,8-trimethyl-3-[(3-methyl-2-butenoyl)oxy]-14,18-cycloandrostan-17-yl}-6,6-dimethyl-D-xylo-hexofuranose | C35H54O6

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

  • Molecular FormulaC35H54O6
  • Average mass570.800 Da
  • Monoisotopic mass570.392029 Da
  • ChemSpider ID28482399

  • 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-methyl-2-butenoyl)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-methyl-2-butenoyl)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-méthyl-2-butenoyl)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: 644.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.9±6.0 kJ/mol
Flash Point: 195.2±25.0 °C
Index of Refraction: 1.573
Molar Refractivity: 157.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 6.21
ACD/LogD (pH 5.5): 5.73
ACD/BCF (pH 5.5): 13253.92
ACD/KOC (pH 5.5): 31071.52
ACD/LogD (pH 7.4): 5.73
ACD/BCF (pH 7.4): 13253.90
ACD/KOC (pH 7.4): 31071.45
Polar Surface Area: 89 Å2
Polarizability: 62.5±0.5 10-24cm3
Surface Tension: 49.5±5.0 dyne/cm
Molar Volume: 478.6±5.0 cm3

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