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Molecule

Dipalmitoylphosphatidylethanolamine

CAS: 923-61-5 · C37H74NO8P

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number
923-61-5
Molecular Formula
C37H74NO8P
Molecular Mass
691.97 g/mol

Identifiers

CAS Registry Number

923-61-5

SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCC

InChI Key

SLKDGVPOSSLUAI-PGUFJCEWSA-N

InChI

InChI=1S/C37H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35H,3-34,38H2,1-2H3,(H,41,42)/t35-/m1/s1

Names and Synonyms

  • Dipalmitoylphosphatidylethanolamine Synonym
  • Hexadecanoic acid, 1,1′-[(1R)-1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy]methyl]-1,2-ethanediyl] ester Synonym
  • Palmitin, 1,2-di-, 2-aminoethyl hydrogen phosphate, L- Synonym
  • Hexadecanoic acid, 1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy]methyl]-1,2-ethanediyl ester, (R)- Synonym
  • Hexadecanoic acid, (1R)-1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy]methyl]-1,2-ethanediyl ester Synonym
  • Dipalmitoyl-L-α-cephalin Synonym
  • 1,2-Dipalmitoyl-L-3-phosphatidylethanolamine Synonym
  • 1,2-Dipalmitoylglycerophosphorylethanolamine Synonym
  • Dipalmitoyl-L-α-phosphatidylethanolamine Synonym
  • 1,2-Dipalmitoyl-sn-glycero-3-phosphoethanolamine Synonym
  • L-β,γ-Dipalmitoyl-α-phosphatidylethanolamine Synonym
  • 1,2-Dipalmitoyl-sn-glycerol-3-phosphoethanolamine Synonym
  • L-α-Dipalmitoylphosphatidylethanolamine Synonym
  • 1,2-Dipalmitoyl-3-sn-phosphatidylethanolamine Synonym
  • 1,2-Dihexadecanoyl-sn-glycerol-3-phosphorylethanolamine Synonym
  • sn-1,2-dipalmitoylglycerophosphoethanolamine Synonym
  • 1,2-Dipalmitoyl-sn-glycerol-3-L-α-phosphorylethanolamine Synonym
  • 1,2-Dipalmitoyl-L-α-phosphatidylethanolamine Synonym
  • 1,2-Dipalmitoyl-sn-glycerophosphoethanolamine Synonym
  • 1,2-Dipalmitoyl-sn-glycerol-3-phosphorylethanolamine Synonym
  • 1,2-Dipalmitoyl-sn-glycero-3-phosphatidylethanolamine Synonym
  • 1,2-Dipalmitoyl-sn-glycero-3-phosphatidylethanolamine Synonym
  • (R)-Dipalmitoylphosphatidylethanolamine Synonym
  • DPPE Synonym
  • Coatsome ME 6060 Synonym
  • DHPE Synonym
  • 1,2-Dipalmitoyl-sn-glycerol-3-phosphatidylethanolamine Synonym
  • 2-Azaniumylethyl [(2R)-2,3-di(hexadecanoyloxy)propyl] phosphate Synonym

All Properties

Comprehensive physical and chemical properties

Property Value Source
Molecular Mass 691.97 g/mol CAS Common Chemistry
691.9719999999995 g/mol RDKit
691.972 g/mol RDKit
Wikipedia Url https://en.wikipedia.org/wiki/Dipalmitoylphosphatidylethanolamine CAS Common Chemistry
Canonical SMILES O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCC CAS Common Chemistry
InChI InChI=1S/C37H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35H,3-34,38H2,1-2H3,(H,41,42)/t35-/m1/s1 CAS Common Chemistry
InChI Key InChIKey=SLKDGVPOSSLUAI-PGUFJCEWSA-N CAS Common Chemistry
Melting Point 190-191 °C CAS Common Chemistry
Name 1,2-Dipalmitoyl-sn-glycero-3-phosphoethanolamine CAS Common Chemistry
Dipalmitoylphosphatidylethanolamine CAS Common Chemistry
Heavy Atom Count 47 RDKit
Hydrogen Bond Acceptors 8 RDKit
Hydrogen Bond Donors 2 RDKit
Rotatable Bonds 37 RDKit
Aromatic Ring Count 0 RDKit
Topological Polar Surface Area 134.38 Ų RDKit
LogP 10.496299999999996 RDKit
10.4963 RDKit
Molar Refractivity 192.24669999999938 cm³/mol RDKit
Ring Count 0 RDKit
Formal Charge 0 RDKit
Fraction Csp3 0.9459 RDKit
0.95 chempirical lib
Exact Mass 691.5152049579999 g/mol RDKit

Spectral Data

NMR, IR, and Mass spectral data

Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

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MW = 691.97 g/mol. Edit any field — others recompute live.

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