ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(11Z)-11-octadecenoyloxy]propyl (6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoate | C41H72NO8P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(11Z)-11-octadecenoyloxy]propyl (6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoate

  • Molecular FormulaC41H72NO8P
  • Average mass737.986 Da
  • Monoisotopic mass737.499573 Da
  • ChemSpider ID24768652

  • 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-[(11Z)-11-octadecenoyloxy]propyl (6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(11Z)-11-octadecenoyloxy]propyl-(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoat [German] [ACD/IUPAC Name]
(6Z,9Z,12Z,15Z)-6,9,12,15-Octadécatétraénoate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-[(11Z)-11-octadecenoyloxy]propyle [French] [ACD/IUPAC Name]
6,9,12,15-Octadecatetraenoic acid, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[[(11Z)-1-oxo-11-octadecen-1-yl]oxy]propyl ester, (6Z,9Z,12Z,15Z)- [ACD/Index Name]
(2-aminoethoxy)[(2R)-2-[(11Z)-octadec-11-enoyloxy]-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propoxy]phosphinic acid
1-Stearidonoyl-2-vaccenoyl-sn-glycero-3-phosphoethanolamine
2-aminoethoxy(2R)-2-[(11Z)-octadec-11-enoyloxy]-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propoxyphosphinic acid
GPEtn(18:4/18:1)
GPEtn(18:4n3/18:1n7)
GPEtn(18:4w3/18:1w7)
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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: 758.0±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: 412.2±35.7 °C
Index of Refraction: 1.500
Molar Refractivity: 211.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 2
ACD/LogP: 12.98
ACD/LogD (pH 5.5): 6.94
ACD/BCF (pH 5.5): 27648.24
ACD/KOC (pH 5.5): 10233.41
ACD/LogD (pH 7.4): 6.84
ACD/BCF (pH 7.4): 22274.25
ACD/KOC (pH 7.4): 8244.34
Polar Surface Area: 144 Å2
Polarizability: 83.7±0.5 10-24cm3
Surface Tension: 39.6±3.0 dyne/cm
Molar Volume: 718.8±3.0 cm3

Click to predict properties on the Chemicalize site


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