ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl docosanoate | C27H56NO7P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl docosanoate

  • Molecular FormulaC27H56NO7P
  • Average mass537.710 Da
  • Monoisotopic mass537.379456 Da
  • ChemSpider ID24769397
  • defined stereocentres - 1 of 1 defined stereocentres


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

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl docosanoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl-docosanoat [German] [ACD/IUPAC Name]
Docosanoate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyle [French] [ACD/IUPAC Name]
Docosanoic acid, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-hydroxypropyl ester [ACD/Index Name]
(2-aminoethoxy)[(2R)-3-(docosanoyloxy)-2-hydroxypropoxy]phosphinic acid
1-Behenoyl-2-hydroxy-sn-glycero-3-phosphoethanolamine
2-AMINOETHOXY((2R)-3-(DOCOSANOYLOXY)-2-HYDROXYPROPOXY)PHOSPHINIC ACID
2-aminoethoxy(2R)-3-(docosanoyloxy)-2-hydroxypropoxyphosphinic acid
Docosanoyl-lysophosphatidylethanolamine
LPE(22:0)
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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

Density: 1.0±0.1 g/cm3
Boiling Point: 638.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.0±6.0 kJ/mol
Flash Point: 339.7±34.3 °C
Index of Refraction: 1.480
Molar Refractivity: 145.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 29
#Rule of 5 Violations: 2
ACD/LogP: 8.86
ACD/LogD (pH 5.5): 5.08
ACD/BCF (pH 5.5): 1065.44
ACD/KOC (pH 5.5): 994.96
ACD/LogD (pH 7.4): 4.99
ACD/BCF (pH 7.4): 863.64
ACD/KOC (pH 7.4): 806.52
Polar Surface Area: 138 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 41.3±3.0 dyne/cm
Molar Volume: 513.6±3.0 cm3

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