ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(6Z,9Z,12Z)-6,9,12-octadecatrienoyloxy]propyl (6Z,9Z,12Z)-6,9,12-octadecatrienoate | C41H70NO8P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(6Z,9Z,12Z)-6,9,12-octadecatrienoyloxy]propyl (6Z,9Z,12Z)-6,9,12-octadecatrienoate

  • Molecular FormulaC41H70NO8P
  • Average mass735.970 Da
  • Monoisotopic mass735.483887 Da
  • ChemSpider ID24768590

  • 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-[(6Z,9Z,12Z)-6,9,12-octadecatrienoyloxy]propyl (6Z,9Z,12Z)-6,9,12-octadecatrienoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(6Z,9Z,12Z)-6,9,12-octadecatrienoyloxy]propyl-(6Z,9Z,12Z)-6,9,12-octadecatrienoat [German] [ACD/IUPAC Name]
(6Z,9Z,12Z)-6,9,12-Octadécatriénoate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-[(6Z,9Z,12Z)-6,9,12-octadecatrienoyloxy]propyle [French] [ACD/IUPAC Name]
6,9,12-Octadecatrienoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[[(6Z,9Z,12Z)-1-oxo-6,9,12-octadecatrien-1-yl]oxy]methyl]ethyl ester, (6Z,9Z,12Z)- [ACD/Index Name]
(2-aminoethoxy)[(2R)-2,3-bis[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propoxy]phosphinic acid
1,2-di-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycero-3-phosphoethanolamine
1,2-Dig-linolenoyl-rac-glycero-3-phosphoethanolamine
2-aminoethoxy(2R)-2,3-bis[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propoxyphosphinic acid
GPEtn(18:3/18:3)
GPEtn(18:3n6/18:3n6)
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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: 757.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 120.1±6.0 kJ/mol
Flash Point: 412.0±35.7 °C
Index of Refraction: 1.505
Molar Refractivity: 211.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 37
#Rule of 5 Violations: 2
ACD/LogP: 12.53
ACD/LogD (pH 5.5): 7.12
ACD/BCF (pH 5.5): 38131.64
ACD/KOC (pH 5.5): 12881.24
ACD/LogD (pH 7.4): 7.03
ACD/BCF (pH 7.4): 30719.48
ACD/KOC (pH 7.4): 10377.34
Polar Surface Area: 144 Å2
Polarizability: 83.8±0.5 10-24cm3
Surface Tension: 39.9±3.0 dyne/cm
Molar Volume: 712.4±3.0 cm3

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