ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(1Z)-1-hexadecen-1-yloxy]propyl (9Z,12Z,15Z)-9,12,15-octadecatrienoate | C39H72NO7P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(1Z)-1-hexadecen-1-yloxy]propyl (9Z,12Z,15Z)-9,12,15-octadecatrienoate

  • Molecular FormulaC39H72NO7P
  • Average mass697.965 Da
  • Monoisotopic mass697.504639 Da
  • ChemSpider ID24768642

  • 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-[(1Z)-1-hexadecen-1-yloxy]propyl (9Z,12Z,15Z)-9,12,15-octadecatrienoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(1Z)-1-hexadecen-1-yloxy]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-[(1Z)-1-hexadécén-1-yloxy]propyle [French] [ACD/IUPAC Name]
9,12,15-Octadecatrienoic acid, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[(1Z)-1-hexadecen-1-yloxy]propyl ester, (9Z,12Z,15Z)- [ACD/Index Name]
(2-aminoethoxy)[(2R)-2-[(1Z)-hexadec-1-en-1-yloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propoxy]phosphinic acid
1-a-Linolenoyl-2-(1-enyl-palmitoyl)-sn-glycero-3-phosphoethanolamine
1-α-Linolenoyl-2-(1-enyl-palmitoyl)-sn-glycero-3-phosphoethanolamine
2-aminoethoxy(2R)-2-[(1Z)-hexadec-1-en-1-yloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propoxyphosphinic acid
GPEtn(18:3/16:0)
GPEtn(18:3n3/16:0)
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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: 734.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 116.7±6.0 kJ/mol
Flash Point: 398.2±35.7 °C
Index of Refraction: 1.493
Molar Refractivity: 201.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 37
#Rule of 5 Violations: 2
ACD/LogP: 13.57
ACD/LogD (pH 5.5): 9.00
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 135177.73
ACD/LogD (pH 7.4): 8.91
ACD/BCF (pH 7.4): 823931.63
ACD/KOC (pH 7.4): 109446.46
Polar Surface Area: 127 Å2
Polarizability: 80.0±0.5 10-24cm3
Surface Tension: 38.5±3.0 dyne/cm
Molar Volume: 695.0±3.0 cm3

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