ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(9Z)-9-hexadecenoyloxy]propyl nonadecanoate | C40H78NO8P

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

  • Molecular FormulaC40H78NO8P
  • Average mass732.023 Da
  • Monoisotopic mass731.546509 Da
  • ChemSpider ID59695629

  • 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

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(9Z)-9-hexadecenoyloxy]propyl nonadecanoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(9Z)-9-hexadecenoyloxy]propyl-nonadecanoat [German] [ACD/IUPAC Name]
Nonadécanoate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-[(9Z)-9-hexadecenoyloxy]propyle [French] [ACD/IUPAC Name]
Nonadecanoic acid, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]propyl ester [ACD/Index Name]
1--2-palmitoleoyl-sn-glycero-3-phosphoethanolamine
1-nonadecanoyl-2-(9Z-hexadecenoyl)-glycero-3-phosphoethanolamine
1-nonadecanoyl-2-(9Z-hexadecenoyl)-sn-glycero-3-phosphoethanolamine
1-nonadecanoyl-2-palmitoleoyl-sn-glycero-3-phosphoethanolamine
GPEtn(19:0/16:1)
GPEtn(35:1)
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 750.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 119.1±6.0 kJ/mol
Flash Point: 407.8±35.7 °C
Index of Refraction: 1.479
Molar Refractivity: 206.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 2
ACD/LogP: 14.78
ACD/LogD (pH 5.5): 10.26
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 656631.63
ACD/LogD (pH 7.4): 10.16
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 529004.94
Polar Surface Area: 144 Å2
Polarizability: 81.8±0.5 10-24cm3
Surface Tension: 38.7±3.0 dyne/cm
Molar Volume: 727.8±3.0 cm3

Click to predict properties on the Chemicalize site


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