ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(11Z)-11-icosenoyloxy]propyl (13Z)-13-docosenoate | C47H90NO8P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(11Z)-11-icosenoyloxy]propyl (13Z)-13-docosenoate

  • Molecular FormulaC47H90NO8P
  • Average mass828.193 Da
  • Monoisotopic mass827.640381 Da
  • ChemSpider ID24768971

  • 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

(13Z)-13-Docosénoate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-[(11Z)-11-icosenoyloxy]propyle [French] [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(11Z)-11-icosenoyloxy]propyl (13Z)-13-docosenoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(11Z)-11-icosenoyloxy]propyl-(13Z)-13-docosenoat [German] [ACD/IUPAC Name]
13-Docosenoic acid, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[[(11Z)-1-oxo-11-eicosen-1-yl]oxy]propyl ester, (13Z)- [ACD/Index Name]
(2-AMINOETHOXY)[(2R)-3-[(13Z)-DOCOS-13-ENOYLOXY]-2-[(11Z)-ICOS-11-ENOYLOXY]PROPOXY]PHOSPHINIC ACID
1-Erucoyl-2-eicosenoyl-sn-glycero-3-phosphoethanolamine
2-AMINOETHOXY((2R)-3-[(13Z)-DOCOS-13-ENOYLOXY]-2-[(11Z)-ICOS-11-ENOYLOXY]PROPOXY)PHOSPHINIC ACID
2-aminoethoxy(2R)-3-[(13Z)-docos-13-enoyloxy]-2-[(11Z)-icos-11-enoyloxy]propoxyphosphinic acid
GPEtn(22:1/20:1)
GPEtn(22:1n9/20:1n9)
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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: 811.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 128.2±6.0 kJ/mol
Flash Point: 444.7±37.1 °C
Index of Refraction: 1.483
Molar Refractivity: 238.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 47
#Rule of 5 Violations: 2
ACD/LogP: 17.98
ACD/LogD (pH 5.5): 12.26
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 8024958.50
ACD/LogD (pH 7.4): 12.16
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 6465188.50
Polar Surface Area: 144 Å2
Polarizability: 94.7±0.5 10-24cm3
Surface Tension: 38.2±3.0 dyne/cm
Molar Volume: 837.0±3.0 cm3

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