ChemSpider 2D Image | (2R)-1-Hydroxy-3-(phosphonooxy)-2-propanyl stearate | C21H43O7P

(2R)-1-Hydroxy-3-(phosphonooxy)-2-propanyl stearate

  • Molecular FormulaC21H43O7P
  • Average mass438.536 Da
  • Monoisotopic mass438.274628 Da
  • ChemSpider ID24766511

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-1-Hydroxy-3-(phosphonooxy)-2-propanyl stearate [ACD/IUPAC Name]
(2R)-1-Hydroxy-3-(phosphonooxy)-2-propanylstearat [German] [ACD/IUPAC Name]
Octadecanoic acid, (1R)-2-hydroxy-1-[(phosphonooxy)methyl]ethyl ester [ACD/Index Name]
Stéarate de (2R)-1-hydroxy-3-(phosphonooxy)-2-propanyle [French] [ACD/IUPAC Name]
(2R)-3-hydroxy-2-(octadecanoyloxy)propoxyphosphonic acid
[(2R)-3-hydroxy-2-(octadecanoyloxy)propoxy]phosphonic acid
2-Octadecanoyl-phosphatidic acid
2-octadecanoyl-sn-glycero-3-phosphate
2-Stearoyl-glycero-3-phosphate
LPA(0:0/18:0)
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 581.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 99.8±6.0 kJ/mol
Flash Point: 305.3±32.9 °C
Index of Refraction: 1.480
Molar Refractivity: 114.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 1
ACD/LogP: 6.70
ACD/LogD (pH 5.5): 2.45
ACD/BCF (pH 5.5): 6.73
ACD/KOC (pH 5.5): 15.13
ACD/LogD (pH 7.4): 1.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.77
Polar Surface Area: 123 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 402.1±3.0 cm3

Click to predict properties on the Chemicalize site


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