ChemSpider 2D Image | N-butyryl-1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine | C43H80NO9P

N-butyryl-1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine

  • Molecular FormulaC43H80NO9P
  • Average mass786.070 Da
  • Monoisotopic mass785.557068 Da
  • ChemSpider ID34999810
  • 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

(12R)-9-Hydroxy-9-oxido-4,15-dioxo-8,10,14-trioxa-5-aza-9λ5-phosphatriacontan-12-yl (9Z,12Z)-9,12-octadecadienoate [ACD/IUPAC Name]
(12R)-9-Hydroxy-9-oxido-4,15-dioxo-8,10,14-trioxa-5-aza-9λ5-phosphatriacontan-12-yl-(9Z,12Z)-9,12-octadecadienoat [German] [ACD/IUPAC Name]
(9Z,12Z)-9,12-Octadécadiénoate de (12R)-9-hydroxy-4,15-dioxo-9-oxydo-8,10,14-trioxa-5-aza-9λ5-phosphatriacontan-12-yle [French] [ACD/IUPAC Name]
9,12-Octadecadienoic acid, (1R)-2-[[hydroxy[2-[(1-oxobutyl)amino]ethoxy]phosphinyl]oxy]-1-[[(1-oxohexadecyl)oxy]methyl]ethyl ester, (9Z,12Z)- [ACD/Index Name]
N-butyryl-1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine
(12R)-9-hydroxy-4,9,15-trioxo-8,10,14-trioxa-5-aza-9λ(5)-phosphatriacontan-12-yl (9Z,12Z)-octadeca-9,12-dienoate
N-butanoyl-1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine
  • Miscellaneous
    • Chemical Class:

      An <element>N</element>-acylphosphatidylethanolamine in which the <element>N</element>-acyl group is specified as butyryl while the phosphatidyl acyl groups at position 1 and 2 are specified as palmit oyl (hexadecanoyl) and linoleoyl (9<stereo>Z</stereo>,12<stereo>Z</stereo>-octadecadienoyl) respectively. ChEBI CHEBI:85799
      An N-acylphosphatidylethanolamine in which the N-acyl group is specified as butyryl while the phosphatidyl acyl groups at position 1 and 2 are specified as palmit; oyl (hexadecanoyl) and linoleoyl (9Z ,12Z-octadecadienoyl) respectively. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:85799
      An N-acylphosphatidylethanolamine in which the N-acyl group is specified as butyryl while the phosphatidyl acyl groups at position 1 and 2 are specified as palmitoyl (hexadecanoyl) and linoleoyl (9Z,1 2Z-octadecadienoyl) respectively. ChEBI CHEBI:85799

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

Density: 1.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.482
Molar Refractivity: 220.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 3
ACD/LogP: 14.41
ACD/LogD (pH 5.5): 9.26
ACD/BCF (pH 5.5): 971743.63
ACD/KOC (pH 5.5): 71621.97
ACD/LogD (pH 7.4): 9.18
ACD/BCF (pH 7.4): 812988.19
ACD/KOC (pH 7.4): 59920.97
Polar Surface Area: 147 Å2
Polarizability: 87.4±0.5 10-24cm3
Surface Tension: 38.4±3.0 dyne/cm
Molar Volume: 773.2±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement