ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoyloxy]propyl (15Z)-15-tetracosenoate | C51H92NO8P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoyloxy]propyl (15Z)-15-tetracosenoate

  • Molecular FormulaC51H92NO8P
  • Average mass878.252 Da
  • Monoisotopic mass877.656067 Da
  • ChemSpider ID24769208

  • 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

(15Z)-15-Tétracosénoate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-[(7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoyloxy]propyle [French] [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoyloxy]propyl (15Z)-15-tetracosenoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoyloxy]propyl-(15Z)-15-tetracosenoat [German] [ACD/IUPAC Name]
15-Tetracosenoic acid, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[[(7Z,10Z,13Z,16Z)-1-oxo-7,10,13,16-docosatetraen-1-yl]oxy]propyl ester, (15Z)- [ACD/Index Name]
(2-aminoethoxy)[(2R)-2-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-3-[(15Z)-tetracos-15-enoyloxy]propoxy]phosphinic acid
1-Nervonoyl-2-adrenoyl-sn-glycero-3-phosphoethanolamine
2-aminoethoxy(2R)-2-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-3-[(15Z)-tetracos-15-enoyloxy]propoxyphosphinic acid
GPEtn(24:1/22:4)
GPEtn(24:1n9/22:4n6)
GPEtn(24:1w9/22:4w6)
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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: 843.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 133.1±6.0 kJ/mol
Flash Point: 464.2±37.1 °C
Index of Refraction: 1.495
Molar Refractivity: 257.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 48
#Rule of 5 Violations: 2
ACD/LogP: 18.23
ACD/LogD (pH 5.5): 12.10
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 6570859.50
ACD/LogD (pH 7.4): 12.00
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 5293686.50
Polar Surface Area: 144 Å2
Polarizability: 102.1±0.5 10-24cm3
Surface Tension: 38.5±3.0 dyne/cm
Molar Volume: 883.8±3.0 cm3

Click to predict properties on the Chemicalize site


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