ChemSpider 2D Image | 4-[(Dodecyloxy)methyl]-1-(beta-D-mannopyranosyl)-1H-1,2,3-triazole | C21H39N3O6

4-[(Dodecyloxy)methyl]-1-(β-D-mannopyranosyl)-1H-1,2,3-triazole

  • Molecular FormulaC21H39N3O6
  • Average mass429.551 Da
  • Monoisotopic mass429.283875 Da
  • ChemSpider ID59002544

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1H-1,2,3-Triazole, 4-[(dodecyloxy)methyl]-1-β-D-mannopyranosyl- [ACD/Index Name]
4-[(Dodecyloxy)methyl]-1-(β-D-mannopyranosyl)-1H-1,2,3-triazol [German] [ACD/IUPAC Name]
4-[(Dodecyloxy)methyl]-1-(β-D-mannopyranosyl)-1H-1,2,3-triazole [ACD/IUPAC Name]
4-[(Dodécyloxy)méthyl]-1-(β-D-mannopyranosyl)-1H-1,2,3-triazole [French] [ACD/IUPAC 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: 612.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.6±3.0 kJ/mol
Flash Point: 324.4±34.3 °C
Index of Refraction: 1.573
Molar Refractivity: 110.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 0
ACD/LogP: 4.59
ACD/LogD (pH 5.5): 3.91
ACD/BCF (pH 5.5): 551.30
ACD/KOC (pH 5.5): 3190.73
ACD/LogD (pH 7.4): 3.91
ACD/BCF (pH 7.4): 551.30
ACD/KOC (pH 7.4): 3190.71
Polar Surface Area: 130 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 48.3±7.0 dyne/cm
Molar Volume: 334.9±7.0 cm3

Click to predict properties on the Chemicalize site


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