ChemSpider 2D Image | O-(Hexadecylsulfonyl)-L-serine | C19H39NO5S

O-(Hexadecylsulfonyl)-L-serine

  • Molecular FormulaC19H39NO5S
  • Average mass393.582 Da
  • Monoisotopic mass393.254883 Da
  • ChemSpider ID16744187

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-Hexadecanosulfonyl-O-L-Serine
L-Serine, O-(hexadecylsulfonyl)- [ACD/Index Name]
O-(Hexadecylsulfonyl)-L-serin [German] [ACD/IUPAC Name]
O-(Hexadecylsulfonyl)-L-serine [ACD/IUPAC Name]
O-(Hexadécylsulfonyl)-L-sérine [French] [ACD/IUPAC Name]
(2S)-2-amino-3-[(hexadecane-1-sulfonyl)oxy]propanoic acid
(R)-RETRO-THIORPHAN

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

RRT [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 548.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 90.5±6.0 kJ/mol
Flash Point: 285.3±28.7 °C
Index of Refraction: 1.487
Molar Refractivity: 105.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 1
ACD/LogP: 7.13
ACD/LogD (pH 5.5): 4.00
ACD/BCF (pH 5.5): 165.01
ACD/KOC (pH 5.5): 266.40
ACD/LogD (pH 7.4): 3.62
ACD/BCF (pH 7.4): 68.42
ACD/KOC (pH 7.4): 110.45
Polar Surface Area: 115 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 42.3±3.0 dyne/cm
Molar Volume: 368.2±3.0 cm3

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