ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(palmitoyloxy)propyl (9E,11E,15E)-13-hydroxy-9,11,15-octadecatrienoate | C39H72NO9P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(palmitoyloxy)propyl (9E,11E,15E)-13-hydroxy-9,11,15-octadecatrienoate

  • Molecular FormulaC39H72NO9P
  • Average mass729.964 Da
  • Monoisotopic mass729.494446 Da
  • ChemSpider ID117217390

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(palmitoyloxy)propyl (9E,11E,15E)-13-hydroxy-9,11,15-octadecatrienoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(palmitoyloxy)propyl-(9E,11E,15E)-13-hydroxy-9,11,15-octadecatrienoat [German] [ACD/IUPAC Name]
(9E,11E,15E)-13-Hydroxy-9,11,15-octadécatriénoate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-(palmitoyloxy)propyle [French] [ACD/IUPAC Name]
9,11,15-Octadecatrienoic acid, 13-hydroxy-, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[(1-oxohexadecyl)oxy]propyl ester, (9E,11E,15E)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 771.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 128.1±6.0 kJ/mol
Flash Point: 420.6±35.7 °C
Index of Refraction: 1.496
Molar Refractivity: 203.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 3
ACD/LogP: 11.43
ACD/LogD (pH 5.5): 7.16
ACD/BCF (pH 5.5): 40816.39
ACD/KOC (pH 5.5): 13524.11
ACD/LogD (pH 7.4): 7.07
ACD/BCF (pH 7.4): 32883.09
ACD/KOC (pH 7.4): 10895.49
Polar Surface Area: 164 Å2
Polarizability: 80.6±0.5 10-24cm3
Surface Tension: 41.1±3.0 dyne/cm
Molar Volume: 696.4±3.0 cm3

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