ChemSpider 2D Image | (2R)-1-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-2-propanyl docosanoate | C27H56NO7P

(2R)-1-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-2-propanyl docosanoate

  • Molecular FormulaC27H56NO7P
  • Average mass537.710 Da
  • Monoisotopic mass537.379456 Da
  • ChemSpider ID24769371

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-1-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-2-propanyl docosanoate [ACD/IUPAC Name]
(2R)-1-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-2-propanyl-docosanoat [German] [ACD/IUPAC Name]
Docosanoate de (2R)-1-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-2-propanyle [French] [ACD/IUPAC Name]
Docosanoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-(hydroxymethyl)ethyl ester [ACD/Index Name]
(2-aminoethoxy)[(2R)-2-(docosanoyloxy)-3-hydroxypropoxy]phosphinic acid
1-Hydroxy-2-behenoyl-sn-glycero-3-phosphoethanolamine
2-AMINOETHOXY((2R)-2-(DOCOSANOYLOXY)-3-HYDROXYPROPOXY)PHOSPHINIC ACID
2-aminoethoxy(2R)-2-(docosanoyloxy)-3-hydroxypropoxyphosphinic acid
2-docosanoyl-sn-glycero-3-phosphoethanolamine
Docosanoyl-lysophosphatidylethanolamine
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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: 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): 5.10
ACD/BCF (pH 5.5): 1115.78
ACD/KOC (pH 5.5): 1028.37
ACD/LogD (pH 7.4): 5.01
ACD/BCF (pH 7.4): 901.12
ACD/KOC (pH 7.4): 830.53
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

Click to predict properties on the Chemicalize site


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