ChemSpider 2D Image | O-(Hydroxy{(2R)-2-hydroxy-3-[(2-methoxyoctadecyl)oxy]propoxy}phosphoryl)-L-serine | C25H52NO9P

O-(Hydroxy{(2R)-2-hydroxy-3-[(2-methoxyoctadecyl)oxy]propoxy}phosphoryl)-L-serine

  • Molecular FormulaC25H52NO9P
  • Average mass541.655 Da
  • Monoisotopic mass541.337952 Da
  • ChemSpider ID113376783

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

L-Serine, O-[hydroxy[(2R)-2-hydroxy-3-[(2-methoxyoctadecyl)oxy]propoxy]phosphinyl]- [ACD/Index Name]
O-(Hydroxy{(2R)-2-hydroxy-3-[(2-methoxyoctadecyl)oxy]propoxy}phosphoryl)-L-serin [German] [ACD/IUPAC Name]
O-(Hydroxy{(2R)-2-hydroxy-3-[(2-methoxyoctadecyl)oxy]propoxy}phosphoryl)-L-serine [ACD/IUPAC Name]
O-(Hydroxy{(2R)-2-hydroxy-3-[(2-méthoxyoctadécyl)oxy]propoxy}phosphoryl)-L-sérine [French] [ACD/IUPAC Name]
1-(2-methoxy-octadecanyl)-sn-glycero-3-phosphoserine
PS(2-OMe-18:0/0:0)

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

Density: 1.1±0.1 g/cm3
Boiling Point: 666.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.2±6.0 kJ/mol
Flash Point: 357.1±34.3 °C
Index of Refraction: 1.488
Molar Refractivity: 139.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 27
#Rule of 5 Violations: 4
ACD/LogP: 6.34
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 2.80
ACD/KOC (pH 5.5): 7.35
ACD/LogD (pH 7.4): 1.89
ACD/BCF (pH 7.4): 2.21
ACD/KOC (pH 7.4): 5.81
Polar Surface Area: 168 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 485.2±3.0 cm3

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