ChemSpider 2D Image | 3-Hydroxy-2-({[(4-methoxybenzyl)oxy]carbonyl}amino)-15-methyl-1-hexadecanesulfonic acid | C26H45NO7S

3-Hydroxy-2-({[(4-methoxybenzyl)oxy]carbonyl}amino)-15-methyl-1-hexadecanesulfonic acid

  • Molecular FormulaC26H45NO7S
  • Average mass515.703 Da
  • Monoisotopic mass515.291687 Da
  • ChemSpider ID8967276

More details:






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

1-Hexadecanesulfonic acid, 3-hydroxy-2-[[[(4-methoxyphenyl)methoxy]carbonyl]amino]-15-methyl- [ACD/Index Name]
3-Hydroxy-2-({[(4-methoxybenzyl)oxy]carbonyl}amino)-15-methyl-1-hexadecanesulfonic acid [ACD/IUPAC Name]
3-Hydroxy-2-({[(4-methoxybenzyl)oxy]carbonyl}amino)-15-methyl-1-hexadecansulfonsäure [German] [ACD/IUPAC Name]
Acide 3-hydroxy-2-({[(4-méthoxybenzyl)oxy]carbonyl}amino)-15-méthyl-1-hexadécanesulfonique [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.519
Molar Refractivity: 138.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 2
ACD/LogP: 6.64
ACD/LogD (pH 5.5): 0.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.64
ACD/LogD (pH 7.4): 0.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.45
Polar Surface Area: 131 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 44.5±3.0 dyne/cm
Molar Volume: 456.3±3.0 cm3

Click to predict properties on the Chemicalize site






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