ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(9Z)-9-hexadecenoyloxy]propyl (15Z)-15-tetracosenoate | C45H86NO8P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(9Z)-9-hexadecenoyloxy]propyl (15Z)-15-tetracosenoate

  • Molecular FormulaC45H86NO8P
  • Average mass800.140 Da
  • Monoisotopic mass799.609131 Da
  • ChemSpider ID24769189

  • 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-[(9Z)-9-hexadecenoyloxy]propyle [French] [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(9Z)-9-hexadecenoyloxy]propyl (15Z)-15-tetracosenoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(9Z)-9-hexadecenoyloxy]propyl-(15Z)-15-tetracosenoat [German] [ACD/IUPAC Name]
15-Tetracosenoic acid, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]propyl ester, (15Z)- [ACD/Index Name]
(2-AMINOETHOXY)[(2R)-2-[(9Z)-HEXADEC-9-ENOYLOXY]-3-[(15Z)-TETRACOS-15-ENOYLOXY]PROPOXY]PHOSPHINIC ACID
1-Nervonoyl-2-palmitoleoyl-sn-glycero-3-phosphoethanolamine
2-AMINOETHOXY((2R)-2-[(9Z)-HEXADEC-9-ENOYLOXY]-3-[(15Z)-TETRACOS-15-ENOYLOXY]PROPOXY)PHOSPHINIC ACID
2-aminoethoxy(2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-[(15Z)-tetracos-15-enoyloxy]propoxyphosphinic acid
GPEtn(24:1/16:1)
GPEtn(24:1n9/16:1n7)
More...

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: 794.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 125.6±6.0 kJ/mol
Flash Point: 434.3±35.7 °C
Index of Refraction: 1.483
Molar Refractivity: 229.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 45
#Rule of 5 Violations: 2
ACD/LogP: 16.92
ACD/LogD (pH 5.5): 11.07
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1824451.13
ACD/LogD (pH 7.4): 10.98
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1469840.38
Polar Surface Area: 144 Å2
Polarizability: 91.0±0.5 10-24cm3
Surface Tension: 38.4±3.0 dyne/cm
Molar Volume: 804.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement