ChemSpider 2D Image | 1-Oleoyl-2-palmitoyl-sn-glycero-3-phosphoethanolamine | C39H76NO8P

1-Oleoyl-2-palmitoyl-sn-glycero-3-phosphoethanolamine

  • Molecular FormulaC39H76NO8P
  • Average mass717.996 Da
  • Monoisotopic mass717.530884 Da
  • ChemSpider ID7825752

  • 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-(palmitoyloxy)propyl (9Z)-9-octadecenoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(palmitoyloxy)propyl-(9Z)-9-octadecenoat [German] [ACD/IUPAC Name]
(9Z)-9-Octadécénoate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-(palmitoyloxy)propyle [French] [ACD/IUPAC Name]
1-Oleoyl-2-palmitoyl-sn-glycero-3-phosphoethanolamine
9-Octadecenoic acid, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[(1-oxohexadecyl)oxy]propyl ester, (9Z)- [ACD/Index Name]
3-[[(2-aminoethoxy)-(R)-hydroxyphosphinyl]oxy]-Z-2-[(1-oxohexadecyl)oxypropyl ester-9-Octadecenoic acid
(2-aminoethoxy)[(2R)-2-(hexadecanoyloxy)-3-(octadec-9-enoyloxy)propoxy]phosphinic acid
(2-AMINOETHOXY)[(2R)-2-(HEXADECANOYLOXY)-3-[(9Z)-OCTADEC-9-ENOYLOXY]PROPOXY]PHOSPHINIC ACID
(2R)-3-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(hexadecanoyloxy)propyl (9Z)-octadec-9-enoate
(2R)-3-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(palmitoyloxy)propyl (9Z)-octadec-9-enoate
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

EPA Pesticide Chemical Code 079011 [DBID]
LMGP02010099 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 741.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 117.7±6.0 kJ/mol
Flash Point: 402.3±35.7 °C
Index of Refraction: 1.479
Molar Refractivity: 201.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 2
ACD/LogP: 14.25
ACD/LogD (pH 5.5): 9.92
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 429571.69
ACD/LogD (pH 7.4): 9.83
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 346078.06
Polar Surface Area: 144 Å2
Polarizability: 80.0±0.5 10-24cm3
Surface Tension: 38.8±3.0 dyne/cm
Molar Volume: 711.3±3.0 cm3

Click to predict properties on the Chemicalize site


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