ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl (9E)-9-octadecenoate | C23H46NO7P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl (9E)-9-octadecenoate

  • Molecular FormulaC23H46NO7P
  • Average mass479.588 Da
  • Monoisotopic mass479.301178 Da
  • ChemSpider ID57620287

  • 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)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl (9E)-9-octadecenoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl-(9E)-9-octadecenoat [German] [ACD/IUPAC Name]
(9E)-9-Octadécénoate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyle [French] [ACD/IUPAC Name]
9-Octadecenoic acid, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-hydroxypropyl ester, (9E)- [ACD/Index Name]
(2-aminoethoxy)[(2R)-2-hydroxy-3-(octadec-9-enoyloxy)propoxy]phosphinic acid
89576-29-4 [RN]
L-??-lysophosphatidylethanolamine (oleyl)
LysoPE(18:1(9Z)/0:0)

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

Density: 1.1±0.1 g/cm3
Boiling Point: 597.4±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: 315.1±32.9 °C
Index of Refraction: 1.489
Molar Refractivity: 127.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 1
ACD/LogP: 6.21
ACD/LogD (pH 5.5): 2.73
ACD/BCF (pH 5.5): 17.47
ACD/KOC (pH 5.5): 52.47
ACD/LogD (pH 7.4): 2.64
ACD/BCF (pH 7.4): 14.16
ACD/KOC (pH 7.4): 42.53
Polar Surface Area: 138 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 43.1±3.0 dyne/cm
Molar Volume: 441.2±3.0 cm3

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