ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl (9E)-9-hexadecenoate | C21H42NO7P

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

  • Molecular FormulaC21H42NO7P
  • Average mass451.534 Da
  • Monoisotopic mass451.269897 Da
  • ChemSpider ID59699853

  • 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-hexadecenoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl-(9E)-9-hexadecenoat [German] [ACD/IUPAC Name]
(9E)-9-Hexadécénoate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyle [French] [ACD/IUPAC Name]
9-Hexadecenoic acid, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-hydroxypropyl ester, (9E)- [ACD/Index Name]
(2-aminoethoxy)[(2R)-3-(hexadec-9-enoyloxy)-2-hydroxypropoxy]phosphinic acid
LysoPE(16:1(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: 576.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 99.1±6.0 kJ/mol
Flash Point: 302.5±32.9 °C
Index of Refraction: 1.490
Molar Refractivity: 118.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 1
ACD/LogP: 5.15
ACD/LogD (pH 5.5): 1.51
ACD/BCF (pH 5.5): 2.09
ACD/KOC (pH 5.5): 11.46
ACD/LogD (pH 7.4): 1.42
ACD/BCF (pH 7.4): 1.69
ACD/KOC (pH 7.4): 9.29
Polar Surface Area: 138 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 408.2±3.0 cm3

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