ChemSpider 2D Image | O-{[(2S)-2-(Hexanoyloxy)-3-(tetradecanoyloxy)propoxy](hydroxy)phosphoryl}-D-serine | C26H50NO10P

O-{[(2S)-2-(Hexanoyloxy)-3-(tetradecanoyloxy)propoxy](hydroxy)phosphoryl}-D-serine

  • Molecular FormulaC26H50NO10P
  • Average mass567.650 Da
  • Monoisotopic mass567.317261 Da
  • ChemSpider ID25058647

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

O-[(S)-{[(2s)-2-(Hexanoyloxy)-3-(Tetradecanoyloxy)propyl]oxy}(Hydroxy)phosphoryl]-D-Serine
O-{[(2S)-2-(Hexanoyloxy)-3-(tetradecanoyloxy)propoxy](hydroxy)phosphoryl}-D-serin [German] [ACD/IUPAC Name]
O-{[(2S)-2-(Hexanoyloxy)-3-(tetradecanoyloxy)propoxy](hydroxy)phosphoryl}-D-serine [ACD/IUPAC Name]
O-{[(2S)-2-(Hexanoyloxy)-3-(tetradecanoyloxy)propoxy](hydroxy)phosphoryl}-D-sérine [French] [ACD/IUPAC Name]
Tetradecanoic acid, (2S)-3-[[[(2R)-2-amino-2-carboxyethoxy]hydroxyphosphinyl]oxy]-2-[(1-oxohexyl)oxy]propyl ester [ACD/Index Name]
PS6

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

Density: 1.1±0.1 g/cm3
Boiling Point: 676.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 108.3±6.0 kJ/mol
Flash Point: 363.0±34.3 °C
Index of Refraction: 1.486
Molar Refractivity: 143.0±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 28
#Rule of 5 Violations: 3
ACD/LogP: 7.63
ACD/LogD (pH 5.5): 2.93
ACD/BCF (pH 5.5): 14.44
ACD/KOC (pH 5.5): 23.80
ACD/LogD (pH 7.4): 2.83
ACD/BCF (pH 7.4): 11.31
ACD/KOC (pH 7.4): 18.65
Polar Surface Area: 181 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 45.0±3.0 dyne/cm
Molar Volume: 498.1±3.0 cm3

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