ChemSpider 2D Image | (9Z,17Z,21R)-27-Amino-24-hydroxy-24-oxido-19,23,25-trioxa-24lambda~5~-phosphaheptacosa-9,17-dien-21-yl (9Z,12Z,15Z)-9,12,15-octadecatrienoate | C41H74NO7P

(9Z,17Z,21R)-27-Amino-24-hydroxy-24-oxido-19,23,25-trioxa-24λ5-phosphaheptacosa-9,17-dien-21-yl (9Z,12Z,15Z)-9,12,15-octadecatrienoate

  • Molecular FormulaC41H74NO7P
  • Average mass724.003 Da
  • Monoisotopic mass723.520264 Da
  • ChemSpider ID24769328

  • 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

(9Z,12Z,15Z)-9,12,15-Octadécatriénoate de (9Z,17Z,21R)-27-amino-24-hydroxy-24-oxydo-19,23,25-trioxa-24λ5-phosphaheptacosa-9,17-dién-21-yle [French] [ACD/IUPAC Name]
(9Z,17Z,21R)-27-Amino-24-hydroxy-24-oxido-19,23,25-trioxa-24λ5-phosphaheptacosa-9,17-dien-21-yl (9Z,12Z,15Z)-9,12,15-octadecatrienoate [ACD/IUPAC Name]
(9Z,17Z,21R)-27-Amino-24-hydroxy-24-oxido-19,23,25-trioxa-24λ5-phosphaheptacosa-9,17-dien-21-yl-(9Z,12Z,15Z)-9,12,15-octadecatrienoat [German] [ACD/IUPAC Name]
9,12,15-Octadecatrienoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[(1Z,9Z)-1,9-octadecadien-1-yloxy]methyl]ethyl ester, (9Z,12Z,15Z)- [ACD/Index Name]
(2-aminoethoxy)[(2R)-3-[(1Z,9Z)-octadeca-1,9-dien-1-yloxy]-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propoxy]phosphinic acid
1-(1-Enyl-oleoyl)-2-a-linolenoyl-sn-glycero-3-phosphoethanolamine
1-(1-Enyl-oleoyl)-2-α-linolenoyl-sn-glycero-3-phosphoethanolamine
2-aminoethoxy(2R)-3-[(1Z,9Z)-octadeca-1,9-dien-1-yloxy]-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propoxyphosphinic acid
GPEtn(18:1/18:3)
GPEtn(18:1n9/18:3n3)
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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: 751.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 119.2±6.0 kJ/mol
Flash Point: 408.3±35.7 °C
Index of Refraction: 1.497
Molar Refractivity: 211.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 2
ACD/LogP: 14.17
ACD/LogD (pH 5.5): 8.17
ACD/BCF (pH 5.5): 238678.00
ACD/KOC (pH 5.5): 47874.87
ACD/LogD (pH 7.4): 8.08
ACD/BCF (pH 7.4): 192666.73
ACD/KOC (pH 7.4): 38645.77
Polar Surface Area: 127 Å2
Polarizability: 83.7±0.5 10-24cm3
Surface Tension: 38.6±3.0 dyne/cm
Molar Volume: 721.7±3.0 cm3

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