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Search term: 113376038 (Found by CSID)
ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl (9Z,12Z)-9,12-heptadecadienoate | C22H42NO7P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl (9Z,12Z)-9,12-heptadecadienoate

  • Molecular FormulaC22H42NO7P
  • Average mass463.545 Da
  • Monoisotopic mass463.269897 Da
  • ChemSpider ID113376038

  • 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 (9Z,12Z)-9,12-heptadecadienoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl-(9Z,12Z)-9,12-heptadecadienoat [German] [ACD/IUPAC Name]
(9Z,12Z)-9,12-Heptadécadiénoate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyle [French] [ACD/IUPAC Name]
9,12-Heptadecadienoic acid, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-hydroxypropyl ester, (9Z,12Z)- [ACD/Index Name]
1-(9Z,12Z-heptadecadienoyl)-glycero-3-phosphoethanolamine
LPE(17:2)
PE(17:2(9Z,12Z)/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: 587.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.6±6.0 kJ/mol
Flash Point: 308.9±32.9 °C
Index of Refraction: 1.499
Molar Refractivity: 122.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 1
ACD/LogP: 5.16
ACD/LogD (pH 5.5): 1.43
ACD/BCF (pH 5.5): 1.80
ACD/KOC (pH 5.5): 10.32
ACD/LogD (pH 7.4): 1.34
ACD/BCF (pH 7.4): 1.46
ACD/KOC (pH 7.4): 8.36
Polar Surface Area: 138 Å2
Polarizability: 48.7±0.5 10-24cm3
Surface Tension: 44.1±3.0 dyne/cm
Molar Volume: 418.3±3.0 cm3

Click to predict properties on the Chemicalize site


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