Dipalmitoylphosphatidylethanolamine
Basic information
- CAS
5681-36-7- Standard SMILES
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCC- InChIKey
SLKDGVPOSSLUAI-UHFFFAOYSA-N- Molecular formula
- C37H74NO8P
- Average molar mass
- 692 g/mol
- Monoisotopic mass
- 691.51520532
Overview
PE(16:0/16:0) is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).
Names & identifiers
- Preferred name
- Dipalmitoylphosphatidylethanolamine
- IUPAC
- [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hexadecanoyloxypropyl] hexadecanoate
- English name
- 1,2-Dihexadecanoyl-rac-glycero-3-phosphoethanolamine
- Molecular formula
- C37H74NO8P
- Molecular weight
- 691.96
Names & synonyms
5681-36-7DipalmitoylphosphatidylethanolamineRefChem:10837611,2-Dipalmitoyl-rac-glycero-3-phosphoethanolamine1,2-Dihexadecanoyl-rac-glycero-3-phosphoethanolamineDIPALMITOYL CEPHALIN1,2-Dipalmitoyl-rac-glycerophosphoethanolamineDL-a-Cephalin dipalmitatea-Cephalin, b,g-dipalmitoylHYA85H5S0Gb,g-Dipalmitoyl-DL-a-cephalinDL-b,g-Dipalmitoyl-a-cephalin
Show more names
DL-β,γ-Dipalmitoyl-α-cephalinDL-ALPHA-CEPHALIN (DIPALMITOYL)DL-BETA,GAMMA-DIPALMITOYL-ALPHA-CEPHALINBETA, GAMMA-DIPALMITOYL-DL-ALPHA-CEPHALINDL-ALPHA-PHOSPHATIDYLETHANOLAMINE, DIPALMITOYLRAC-PHOSPHATIDYL-ETHANOLAMINE, 1,2-DIPALMITOYLRAC-1,2-DIPALMITOYL-GLYCERO-3-PHOSPHOETHANOLAMINE
1,2-Dipalmitoyl glycerylphosphorylethanolaminerac-Phosphatidylethanolamine, 1,2-dipalmitoylDL-Dipalmitoylphosphatidylethanolamine1,2-DipalmitoylphosphatidylethanolamineDL-a-Dipalmitoylphosphatidylethanolamine1,2-Dipalmitoyl-DL-phosphatidylethanolamineDPPE;L-beta,gamma-Dipalmitoyl-alpha-cephalinrac-1,2-dipalmitoylglycero-3-phosphoethanolamine
Properties
Computed structural properties
- XLogP
- 10.3
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 39
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 754
Experimental & physicochemical properties
Collision Cross Section
262.3 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
257.29 Ų [M-H]- [CCS Type: TW; Method: calibrated with phosphatidylcholines (ESI+) and phosphatidylethanolamines (ESI-) doubly charged cardiolipins calibrated with poly-DL-alanine]
261.8 Ų [M-H]-
Physicochemical properties
- Melting point
- 184 °C · >184°C (dec.)
- Boiling point
- 723.6 · 723.6±70.0 °C(Predicted)
- Density
- 1.01 · 1.010±0.06 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- solubility
- Chloroform (Slightly, Heated)
- form
- Solid
- pka
- 1.17 · 1.17±0.50(Predicted)
- color
- White to Off-White
- biological source
- synthetic
- BRN
- 1730602 · 1730602
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- F
- 10-21
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
Uses1,2-Dipalmitoyl-rac-glycero-3-phosphoethanolamine is a long chain fatty acid, acting as a luminescence marker. Is used in enhancing radiotherapy for cancer treatment.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…