ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(9Z)-9-tetradecenoyloxy]propyl (9Z,12Z,15Z)-9,12,15-octadecatrienoate | C37H66NO8P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(9Z)-9-tetradecenoyloxy]propyl (9Z,12Z,15Z)-9,12,15-octadecatrienoate

  • Molecular FormulaC37H66NO8P
  • Average mass683.896 Da
  • Monoisotopic mass683.452576 Da
  • ChemSpider ID24768615

  • 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-[(9Z)-9-tetradecenoyloxy]propyl (9Z,12Z,15Z)-9,12,15-octadecatrienoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(9Z)-9-tetradecenoyloxy]propyl-(9Z,12Z,15Z)-9,12,15-octadecatrienoat [German] [ACD/IUPAC Name]
(9Z,12Z,15Z)-9,12,15-Octadécatriénoate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-[(9Z)-9-tetradecenoyloxy]propyle [French] [ACD/IUPAC Name]
9,12,15-Octadecatrienoic acid, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[[(9Z)-1-oxo-9-tetradecen-1-yl]oxy]propyl ester, (9Z,12Z,15Z)- [ACD/Index Name]
(2-aminoethoxy)[(2R)-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]-2-[(9Z)-tetradec-9-enoyloxy]propoxy]phosphinic acid
1-(9Z,12Z,15Z-octadecatrienoyl)-2-(9Z-tetradecenoyl)-glycero-3-phosphoethanolamine
1-a-Linolenoyl-2-myristoleoyl-sn-glycero-3-phosphoethanolamine
1-α-Linolenoyl-2-myristoleoyl-sn-glycero-3-phosphoethanolamine
2-aminoethoxy(2R)-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]-2-[(9Z)-tetradec-9-enoyloxy]propoxyphosphinic acid
GPEtn(18:3/14:1)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 1.0±0.1 g/cm3
Boiling Point: 721.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 114.8±6.0 kJ/mol
Flash Point: 390.4±35.7 °C
Index of Refraction: 1.496
Molar Refractivity: 192.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 35
#Rule of 5 Violations: 2
ACD/LogP: 11.47
ACD/LogD (pH 5.5): 5.71
ACD/BCF (pH 5.5): 3222.96
ACD/KOC (pH 5.5): 2197.32
ACD/LogD (pH 7.4): 5.61
ACD/BCF (pH 7.4): 2596.53
ACD/KOC (pH 7.4): 1770.24
Polar Surface Area: 144 Å2
Polarizability: 76.4±0.5 10-24cm3
Surface Tension: 39.9±3.0 dyne/cm
Molar Volume: 659.1±3.0 cm3

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