ChemSpider 2D Image | 3-(2,5,8,11,14,17,20-Heptaoxatricos-22-yn-23-yl)-5-{[(2S)-1-methyl-2-pyrrolidinyl]methoxy}pyridine | C27H44N2O8

3-(2,5,8,11,14,17,20-Heptaoxatricos-22-yn-23-yl)-5-{[(2S)-1-methyl-2-pyrrolidinyl]methoxy}pyridine

  • Molecular FormulaC27H44N2O8
  • Average mass524.647 Da
  • Monoisotopic mass524.309753 Da
  • ChemSpider ID26343242
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

3-(2,5,8,11,14,17,20-Heptaoxatricos-22-in-23-yl)-5-{[(2S)-1-methyl-2-pyrrolidinyl]methoxy}pyridin [German] [ACD/IUPAC Name]
3-(2,5,8,11,14,17,20-Heptaoxatricos-22-yn-23-yl)-5-{[(2S)-1-methyl-2-pyrrolidinyl]methoxy}pyridine [ACD/IUPAC Name]
3-(2,5,8,11,14,17,20-Heptaoxatricos-22-yn-23-yl)-5-{[(2S)-1-méthyl-2-pyrrolidinyl]méthoxy}pyridine [French] [ACD/IUPAC Name]
Pyridine, 3-(4,7,10,13,16,19,22-heptaoxatricos-1-yn-1-yl)-5-[[(2S)-1-methyl-2-pyrrolidinyl]methoxy]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 607.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.2±3.0 kJ/mol
Flash Point: 320.9±31.5 °C
Index of Refraction: 1.521
Molar Refractivity: 140.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 2
ACD/LogP: 0.24
ACD/LogD (pH 5.5): -2.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 90 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 48.2±5.0 dyne/cm
Molar Volume: 460.7±5.0 cm3

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