ChemSpider 2D Image | (2R)-1-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-2-propanyl (9E,12E,15E)-9,12,15-octadecatrienoate | C23H42NO7P

(2R)-1-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-2-propanyl (9E,12E,15E)-9,12,15-octadecatrienoate

  • Molecular FormulaC23H42NO7P
  • Average mass475.556 Da
  • Monoisotopic mass475.269897 Da
  • ChemSpider ID59699834

  • Double-bond stereo - Double-bond stereo

    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 (9E,12E,15E)-9,12,15-octadecatrienoate [ACD/IUPAC Name]
(2R)-1-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-2-propanyl-(9E,12E,15E)-9,12,15-octadecatrienoat [German] [ACD/IUPAC Name]
(9E,12E,15E)-9,12,15-Octadécatriénoate de (2R)-1-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-2-propanyle [French] [ACD/IUPAC Name]
9,12,15-Octadecatrienoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-(hydroxymethyl)ethyl ester, (9E,12E,15E)- [ACD/Index Name]
(2-aminoethoxy)[(2R)-3-hydroxy-2-(octadeca-9,12,15-trienoyloxy)propoxy]phosphinic acid
LysoPE(0:0/18:3(9Z,12Z,15Z))

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

Density: 1.1±0.1 g/cm3
Boiling Point: 597.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 102.1±6.0 kJ/mol
Flash Point: 315.2±32.9 °C
Index of Refraction: 1.507
Molar Refractivity: 127.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 1
ACD/LogP: 5.01
ACD/LogD (pH 5.5): 1.40
ACD/BCF (pH 5.5): 1.72
ACD/KOC (pH 5.5): 9.96
ACD/LogD (pH 7.4): 1.31
ACD/BCF (pH 7.4): 1.38
ACD/KOC (pH 7.4): 8.05
Polar Surface Area: 138 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 428.5±3.0 cm3

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