ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(13Z)-13-docosenoyloxy]propyl (15Z)-15-tetracosenoate | C51H98NO8P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(13Z)-13-docosenoyloxy]propyl (15Z)-15-tetracosenoate

  • Molecular FormulaC51H98NO8P
  • Average mass884.299 Da
  • Monoisotopic mass883.703003 Da
  • ChemSpider ID24769206

  • 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-[(13Z)-13-docosenoyloxy]propyle [French] [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(13Z)-13-docosenoyloxy]propyl (15Z)-15-tetracosenoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(13Z)-13-docosenoyloxy]propyl-(15Z)-15-tetracosenoat [German] [ACD/IUPAC Name]
15-Tetracosenoic acid, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[[(13Z)-1-oxo-13-docosen-1-yl]oxy]propyl ester, (15Z)- [ACD/Index Name]
(2-AMINOETHOXY)[(2R)-2-[(13Z)-DOCOS-13-ENOYLOXY]-3-[(15Z)-TETRACOS-15-ENOYLOXY]PROPOXY]PHOSPHINIC ACID
1-Nervonoyl-2-erucoyl-sn-glycero-3-phosphoethanolamine
2-AMINOETHOXY((2R)-2-[(13Z)-DOCOS-13-ENOYLOXY]-3-[(15Z)-TETRACOS-15-ENOYLOXY]PROPOXY)PHOSPHINIC ACID
2-aminoethoxy(2R)-2-[(13Z)-docos-13-enoyloxy]-3-[(15Z)-tetracos-15-enoyloxy]propoxyphosphinic acid
GPEtn(24:1/22:1)
GPEtn(24:1n9/22:1n9)
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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: 845.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 133.4±6.0 kJ/mol
Flash Point: 465.0±37.1 °C
Index of Refraction: 1.482
Molar Refractivity: 257.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 51
#Rule of 5 Violations: 2
ACD/LogP: 20.11
ACD/LogD (pH 5.5): 14.18
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.08
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 144 Å2
Polarizability: 102.0±0.5 10-24cm3
Surface Tension: 37.8±3.0 dyne/cm
Molar Volume: 903.0±3.0 cm3

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