ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(1Z)-1-octadecen-1-yloxy]propyl (9Z)-9-hexadecenoate | C39H76NO7P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(1Z)-1-octadecen-1-yloxy]propyl (9Z)-9-hexadecenoate

  • Molecular FormulaC39H76NO7P
  • Average mass701.997 Da
  • Monoisotopic mass701.535950 Da
  • ChemSpider ID24768469

  • 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-[(1Z)-1-octadecen-1-yloxy]propyl (9Z)-9-hexadecenoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(1Z)-1-octadecen-1-yloxy]propyl-(9Z)-9-hexadecenoat [German] [ACD/IUPAC Name]
(9Z)-9-Hexadécénoate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-[(1Z)-1-octadécén-1-yloxy]propyle [French] [ACD/IUPAC Name]
9-Hexadecenoic acid, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[(1Z)-1-octadecen-1-yloxy]propyl ester, (9Z)- [ACD/Index Name]
(2-AMINOETHOXY)[(2R)-3-[(9Z)-HEXADEC-9-ENOYLOXY]-2-[(1Z)-OCTADEC-1-EN-1-YLOXY]PROPOXY]PHOSPHINIC ACID
1-Palmitoleoyl-2-(1-enyl-stearoyl)-sn-glycero-3-phosphoethanolamine
2-AMINOETHOXY((2R)-3-[(9Z)-HEXADEC-9-ENOYLOXY]-2-[(1Z)-OCTADEC-1-EN-1-YLOXY]PROPOXY)PHOSPHINIC ACID
2-aminoethoxy(2R)-3-[(9Z)-hexadec-9-enoyloxy]-2-[(1Z)-octadec-1-en-1-yloxy]propoxyphosphinic acid
GPEtn(16:1/18:0)
GPEtn(16:1n7/18:0)
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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: 735.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 116.8±6.0 kJ/mol
Flash Point: 398.8±35.7 °C
Index of Refraction: 1.482
Molar Refractivity: 201.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 2
ACD/LogP: 14.76
ACD/LogD (pH 5.5): 10.20
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 612080.44
ACD/LogD (pH 7.4): 10.11
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 495570.06
Polar Surface Area: 127 Å2
Polarizability: 80.0±0.5 10-24cm3
Surface Tension: 38.0±3.0 dyne/cm
Molar Volume: 707.8±3.0 cm3

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