ChemSpider 2D Image | N-caproyl-1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine | C45H84NO9P

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

  • Molecular FormulaC45H84NO9P
  • Average mass814.123 Da
  • Monoisotopic mass813.588379 Da
  • ChemSpider ID34999809
  • 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

(14R)-11-Hydroxy-11-oxido-6,17-dioxo-10,12,16-trioxa-7-aza-11λ5-phosphadotriacontan-14-yl (9Z,12Z)-9,12-octadecadienoate [ACD/IUPAC Name]
(14R)-11-Hydroxy-11-oxido-6,17-dioxo-10,12,16-trioxa-7-aza-11λ5-phosphadotriacontan-14-yl-(9Z,12Z)-9,12-octadecadienoat [German] [ACD/IUPAC Name]
(9Z,12Z)-9,12-Octadécadiénoate de (14R)-11-hydroxy-6,17-dioxo-11-oxydo-10,12,16-trioxa-7-aza-11λ5-phosphadotriacontan-14-yle [French] [ACD/IUPAC Name]
9,12-Octadecadienoic acid, (1R)-2-[[hydroxy[2-[(1-oxohexyl)amino]ethoxy]phosphinyl]oxy]-1-[[(1-oxohexadecyl)oxy]methyl]ethyl ester, (9Z,12Z)- [ACD/Index Name]
N-caproyl-1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine
(14R)-11-hydroxy-6,11,17-trioxo-10,12,16-trioxa-7-aza-11λ(5)-phosphadotriacontan-14-yl (9Z,12Z)-octadeca-9,12-dienoate
N-hexanoyl-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 caproyl (hexanoyl) while the phosphatidyl acyl groups at position 1 and 2 are specifie d as palmitoyl (hexadecanoyl) and linoleoyl (9<stereo>Z</stereo>,12<stereo>Z</stereo>-octadecadienoyl) respectively. ChEBI CHEBI:85798
      An N-acylphosphatidylethanolamine in which the N-acyl group is specified as caproyl (hexanoyl) while the phosphatidyl acyl groups at position 1 and 2 are specifie; d as palmitoyl (hexadecanoyl) and li noleoyl (9Z,12Z-octadecadienoyl) respectively. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:85798
      An N-acylphosphatidylethanolamine in which the N-acyl group is specified as caproyl (hexanoyl) while the phosphatidyl acyl groups at position 1 and 2 are specified as palmitoyl (hexadecanoyl) and lino leoyl (9Z,12Z-octadecadienoyl) respectively. ChEBI CHEBI:85798

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: 229.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 44
#Rule of 5 Violations: 3
ACD/LogP: 15.47
ACD/LogD (pH 5.5): 10.54
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 353257.13
ACD/LogD (pH 7.4): 10.46
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 295641.97
Polar Surface Area: 147 Å2
Polarizability: 91.1±0.5 10-24cm3
Surface Tension: 38.2±3.0 dyne/cm
Molar Volume: 806.2±3.0 cm3

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