ChemSpider 2D Image | Methyl 3-[hexadecyl(phenylsulfonyl)amino]-2-hydroxypropanoate | C26H45NO5S

Methyl 3-[hexadecyl(phenylsulfonyl)amino]-2-hydroxypropanoate

  • Molecular FormulaC26H45NO5S
  • Average mass483.704 Da
  • Monoisotopic mass483.301849 Da
  • ChemSpider ID102869601

More details:

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

3-[Hexadécyl(phénylsulfonyl)amino]-2-hydroxypropanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-[hexadecyl(phenylsulfonyl)amino]-2-hydroxypropanoate [ACD/IUPAC Name]
Methyl-3-[hexadecyl(phenylsulfonyl)amino]-2-hydroxypropanoat [German] [ACD/IUPAC Name]
Propanoic acid, 3-[hexadecyl(phenylsulfonyl)amino]-2-hydroxy-, methyl ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 597.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.6±3.0 kJ/mol
Flash Point: 315.1±32.9 °C
Index of Refraction: 1.509
Molar Refractivity: 135.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 1
ACD/LogP: 9.47
ACD/LogD (pH 5.5): 8.82
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1494829.13
ACD/LogD (pH 7.4): 8.82
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1494799.50
Polar Surface Area: 92 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 41.6±3.0 dyne/cm
Molar Volume: 453.5±3.0 cm3

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