ChemSpider 2D Image | 1-{16-Acetoxy-17-[1-(5-methyl-3,4,5,6-tetrahydro-2-pyridinyl)ethyl]androst-5-en-3-yl}-2,3,4,6-tetra-O-acetyl-1,5-anhydrohexitol | C43H63NO11

1-{16-Acetoxy-17-[1-(5-methyl-3,4,5,6-tetrahydro-2-pyridinyl)ethyl]androst-5-en-3-yl}-2,3,4,6-tetra-O-acetyl-1,5-anhydrohexitol

  • Molecular FormulaC43H63NO11
  • Average mass769.960 Da
  • Monoisotopic mass769.440125 Da
  • ChemSpider ID4159915

More details:

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

1-{16-Acetoxy-17-[1-(5-methyl-3,4,5,6-tetrahydro-2-pyridinyl)ethyl]androst-5-en-3-yl}-2,3,4,6-tetra-O-acetyl-1,5-anhydrohexitol [ACD/IUPAC Name]
1-{16-Acetoxy-17-[1-(5-methyl-3,4,5,6-tetrahydro-2-pyridinyl)ethyl]androst-5-en-3-yl}-2,3,4,6-tetra-O-acetyl-1,5-anhydrohexitol [German] [ACD/IUPAC Name]
1-{16-Acétoxy-17-[1-(5-méthyl-3,4,5,6-tétrahydro-2-pyridinyl)éthyl]androst-5-én-3-yl}-2,3,4,6-tétra-O-acétyl-1,5-anhydrohexitol [French] [ACD/IUPAC Name]
Hexitol, 1-C-[16-(acetyloxy)-17-[1-(3,4,5,6-tetrahydro-5-methyl-2-pyridinyl)ethyl]androst-5-en-3-yl]-1,5-anhydro-, 2,3,4,6-tetraacetate [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 744.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.6±3.0 kJ/mol
Flash Point: 146.4±27.3 °C
Index of Refraction: 1.602
Molar Refractivity: 200.5±0.5 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 9.74
ACD/LogD (pH 5.5): 6.98
ACD/BCF (pH 5.5): 41479.96
ACD/KOC (pH 5.5): 20288.39
ACD/LogD (pH 7.4): 8.14
ACD/BCF (pH 7.4): 598184.25
ACD/KOC (pH 7.4): 292579.72
Polar Surface Area: 153 Å2
Polarizability: 79.5±0.5 10-24cm3
Surface Tension: 44.6±7.0 dyne/cm
Molar Volume: 584.6±7.0 cm3

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