ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(icosanoyloxy)propyl (15Z)-15-tetracosenoate | C49H96NO8P

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

  • Molecular FormulaC49H96NO8P
  • Average mass858.262 Da
  • Monoisotopic mass857.687378 Da
  • ChemSpider ID24769197

  • 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-(icosanoyloxy)propyle [French] [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(icosanoyloxy)propyl (15Z)-15-tetracosenoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(icosanoyloxy)propyl-(15Z)-15-tetracosenoat [German] [ACD/IUPAC Name]
15-Tetracosenoic acid, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[(1-oxoeicosyl)oxy]propyl ester, (15Z)- [ACD/Index Name]
(2-AMINOETHOXY)[(2R)-2-(ICOSANOYLOXY)-3-[(15Z)-TETRACOS-15-ENOYLOXY]PROPOXY]PHOSPHINIC ACID
1-Nervonoyl-2-arachidonyl-sn-glycero-3-phosphoethanolamine
2-AMINOETHOXY((2R)-2-(ICOSANOYLOXY)-3-[(15Z)-TETRACOS-15-ENOYLOXY]PROPOXY)PHOSPHINIC ACID
2-aminoethoxy(2R)-2-(icosanoyloxy)-3-[(15Z)-tetracos-15-enoyloxy]propoxyphosphinic acid
GPEtn(24:1/20:0)
GPEtn(24:1n9/20:0)
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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: 829.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 130.9±6.0 kJ/mol
Flash Point: 455.2±37.1 °C
Index of Refraction: 1.478
Molar Refractivity: 248.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 50
#Rule of 5 Violations: 2
ACD/LogP: 19.56
ACD/LogD (pH 5.5): 13.96
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.86
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 144 Å2
Polarizability: 98.3±0.5 10-24cm3
Surface Tension: 37.8±3.0 dyne/cm
Molar Volume: 876.4±3.0 cm3

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