ChemSpider 2D Image | (2R)-1-(Hexadecyloxy)-3-(phosphonooxy)-2-propanyl stearate | C37H75O7P

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

  • Molecular FormulaC37H75O7P
  • Average mass662.961 Da
  • Monoisotopic mass662.525024 Da
  • ChemSpider ID24766519

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-1-(Hexadecyloxy)-3-(phosphonooxy)-2-propanyl stearate [ACD/IUPAC Name]
(2R)-1-(Hexadecyloxy)-3-(phosphonooxy)-2-propanylstearat [German] [ACD/IUPAC Name]
Octadecanoic acid, (1R)-2-(hexadecyloxy)-1-[(phosphonooxy)methyl]ethyl ester [ACD/Index Name]
Stéarate de (2R)-1-(hexadécyloxy)-3-(phosphonooxy)-2-propanyle [French] [ACD/IUPAC Name]
(2R)-3-(hexadecyloxy)-2-(octadecanoyloxy)propoxyphosphonic acid
[(2R)-3-(hexadecyloxy)-2-(octadecanoyloxy)propoxy]phosphonic acid
1-hexadecyl-2-octadecanoyl-glycero-3-phosphate
2-octadecanoyl-1-hexadecyl-sn-glycero-3-phosphate
PA(16:0e/18:0)
PA(o-16:0/18:0)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 1.0±0.1 g/cm3
Boiling Point: 713.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 113.7±6.0 kJ/mol
Flash Point: 385.5±35.7 °C
Index of Refraction: 1.471
Molar Refractivity: 188.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 2
ACD/LogP: 15.24
ACD/LogD (pH 5.5): 10.30
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 282648.53
ACD/LogD (pH 7.4): 9.37
ACD/BCF (pH 7.4): 730648.50
ACD/KOC (pH 7.4): 33095.63
Polar Surface Area: 112 Å2
Polarizability: 74.8±0.5 10-24cm3
Surface Tension: 37.6±3.0 dyne/cm
Molar Volume: 675.0±3.0 cm3

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