ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(hexanoyloxy)propyl pentadecanoate | C26H52NO8P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(hexanoyloxy)propyl pentadecanoate

  • Molecular FormulaC26H52NO8P
  • Average mass537.667 Da
  • Monoisotopic mass537.343079 Da
  • ChemSpider ID61716030

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(hexanoyloxy)propyl pentadecanoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(hexanoyloxy)propyl-pentadecanoat [German] [ACD/IUPAC Name]
(2R)-3-{[(S)-(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(hexanoyloxy)propyl pentadecanoate [ACD/IUPAC Name]
(2R)-3-{[(S)-(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(hexanoyloxy)propyl-pentadecanoat [German] [ACD/IUPAC Name]
Pentadécanoate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-(hexanoyloxy)propyle [French] [ACD/IUPAC Name]
Pentadécanoate de (2R)-3-{[(S)-(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-(hexanoyloxy)propyle [French] [ACD/IUPAC Name]
Pentadecanoic acid, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[(1-oxohexyl)oxy]propyl ester [ACD/Index Name]
Pentadecanoic acid, (2R)-3-[[(S)-(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[(1-oxohexyl)oxy]propyl ester [ACD/Index Name]
EPH
L-α-PHOSPHATIDYL-β-OLEOYL-γ-PALMITOYL-PHOSPHATIDYLETHANOLAMINE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 615.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 99.7±6.0 kJ/mol
Flash Point: 326.1±34.3 °C
Index of Refraction: 1.474
Molar Refractivity: 141.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 28
#Rule of 5 Violations: 2
ACD/LogP: 7.86
ACD/LogD (pH 5.5): 4.65
ACD/BCF (pH 5.5): 503.03
ACD/KOC (pH 5.5): 581.42
ACD/LogD (pH 7.4): 4.55
ACD/BCF (pH 7.4): 405.25
ACD/KOC (pH 7.4): 468.41
Polar Surface Area: 144 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 40.7±3.0 dyne/cm
Molar Volume: 503.1±3.0 cm3

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