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Molecule

Dipalmitoylphosphatidylcholine

CAS: 63-89-8 · C40H80NO8P

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number
63-89-8
Molecular Formula
C40H80NO8P
Molecular Mass
734.05 g/mol

Identifiers

CAS Registry Number

63-89-8

SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC

InChI Key

KILNVBDSWZSGLL-KXQOOQHDSA-N

InChI

InChI=1S/C40H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h38H,6-37H2,1-5H3/t38-/m1/s1

Names and Synonyms

  • Dipalmitoylphosphatidylcholine Common Name
  • 3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxohexadecyl)oxy]-, inner salt, 4-oxide, (7R)- Synonym
  • Choline, hydroxide, dihydrogen phosphate, inner salt, ester with 1,2-dipalmitin, L- Synonym
  • 3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxohexadecyl)oxy]-, hydroxide, inner salt, 4-oxide, (R)- Synonym
  • Palmitin, 1,2-di-, dihydrogen phosphate, monoester with choline hydroxide, inner salt, L- Synonym
  • 1,2-Dipalmitoyl-L-phosphatidylcholine Synonym
  • β,γ-Dipalmitoyl-L-phosphatidylcholine Synonym
  • L-α-Dipalmitoyllecithin Synonym
  • 1,2-Dipalmitoyl-L-lecithin Synonym
  • Dipalmitoyl-L-lecithin Synonym
  • β,γ-Dipalmitoyl-L-(α)-lecithin Synonym
  • Dipalmitoyl-L-α-phosphatidylcholine Synonym
  • 1,2-Dipalmitoyl-L-3-phosphatidylcholine Synonym
  • L-Dipalmitoylphosphatidylcholine Synonym
  • 1,2-Dipalmitoyl-3-sn-phosphatidylcholine Synonym
  • 1,2-Dipalmitoyl-L-α-lecithin Synonym
  • 1,2-Dipalmitoyl-sn-glycero-3-phosphorylcholine Synonym
  • Dipalmitoyl-L-3-glycerylphosphorylcholine Synonym
  • 1,2-L-α-Dipalmitoylphosphatidylcholine Synonym
  • β,γ-Dipalmitoyl L-α-phosphatidylcholine Synonym
  • 1,2-Dipalmitoyl-sn-glycero-3-phosphorylcholine Synonym
  • 1,2-Dipalmitoyl-sn-glycerophosphocholine Synonym
  • 1,2-Dipalmitoyl-sn-glycerophosphorylcholine Synonym
  • sn-3-Dipalmitoyllecithin Synonym
  • 1,2-Dipalmitoyl-sn-glycerol-3-phosphocholine Synonym
  • L-1,2-Dipalmitoyl-α-lecithin Synonym
  • L-α-1,2-Dipalmitoyl lecithin Synonym
  • L-β,γ-Dipalmitoylphosphatidylcholine Synonym
  • L-β,γ-Dipalmitoyl-α-lecithin Synonym
  • 1,2-Dihexadecanoyl-sn-glycero-3-phosphorylcholine Synonym
  • L-α-Dipalmitoylphosphatidylcholine Synonym
  • 1,2-Dipalmitoyl-sn-3-glycerophosphocholine Synonym
  • L-α-Dipalmitoylecithin Synonym
  • 1,2-Dipalmitoyl-L-α-phosphatidylcholine Synonym
  • Dipalmitoyl-L-α-lecithin Synonym
  • L-Dipalmitoyl lecithin Synonym
  • L-β,γ-Dipalmitoyl-α-phosphatidylcholine Synonym
  • Dipalmitoyl L-α-phosphatidylcholine Synonym
  • Dipalmitoyl-sn-3-phosphatidylcholine Synonym
  • 1,2-Dihexadecanoyl-sn-glycerol-3-phosphorylcholine Synonym
  • 1,2-Dipalmitoyl-sn-phosphatidylcholine Synonym
  • DPPC Synonym
  • L-1,2-Dipalmitoylphosphatidylcholine Synonym
  • 1,2-Dipalmitoyl-sn-glyceryl-3-phosphocholine Synonym
  • Colfosceril palmitate Synonym
  • 1,2-Bis(palmitoyl)-sn-glycero-3-phosphocholine Synonym
  • Dipalmitoylphosphatidylcholine Synonym
  • 129Y83 Synonym
  • 3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxohexadecyl)oxy]-, inner salt, 4-oxide, (R)- Synonym
  • 1,2-Bis(hexadecanoyl)-sn-glycero-3-phosphocholine Synonym
  • 1,2-Dipalmitoyl-sn-glycero-3-phosphocholine Synonym
  • L-DPPC Synonym
  • 1,2-Dipalmitoylglycero-3-phosphocholine Synonym
  • L-α-DPPC Synonym
  • Dihexadecanoyl-sn-glycero-3-phosphocholine Synonym
  • 1,2-Dipalmitoyl-sn-glycero-3-phosphatidylcholine Synonym
  • 1,2-Dihexadecanoyl-sn-glycero-3-phosphocholine Synonym
  • L-α-Lecithin Synonym
  • 1,2-Dipalmitoyl-3-sn-phosphatidylcholine Synonym
  • L-Dipalmitoyl phosphatidylcholine Synonym
  • 55: PN: WO2017201317 SEQID: 128 claimed RNA Synonym
  • Dipalmitoyl-sn-glycero-3-phosphocholine Synonym
  • 1,2-Dipalmitoyl-sn-glycerol-3-phosphocholine Synonym
  • 1,2-Dipalmitoyl-sn-glycero-3-phosphatidylcholine Synonym
  • (R)-2,3-Bis(palmitoyloxy)propyl (2-(trimethylammonio)ethyl) phosphate Synonym
  • [(2R)-2,3-Di(hexadecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate Synonym
  • 1,2-Palmitoyl-sn-glycero-3-phosphocholine Synonym
  • 1,2-Dispalmitoyl-sn-phosphatidylcholine Synonym
  • 1,2-Dihexadecanoyl-sn-glycero-3-phophocholine Synonym

All Properties

Comprehensive physical and chemical properties

Property Value Source
Molecular Mass 734.05 g/mol CAS Common Chemistry
734.0529999999993 g/mol RDKit
734.053 g/mol RDKit
Wikipedia Url https://en.wikipedia.org/wiki/Dipalmitoylphosphatidylcholine CAS Common Chemistry
Canonical SMILES O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCC CAS Common Chemistry
InChI InChI=1S/C40H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h38H,6-37H2,1-5H3/t38-/m1/s1 CAS Common Chemistry
InChI Key InChIKey=KILNVBDSWZSGLL-KXQOOQHDSA-N CAS Common Chemistry
Melting Point 234 °C CAS Common Chemistry
Name 1,2-Dipalmitoyl-sn-glycero-3-phosphocholine CAS Common Chemistry
Dipalmitoylphosphatidylcholine CAS Common Chemistry
Heavy Atom Count 50 RDKit
Hydrogen Bond Acceptors 8 RDKit
Hydrogen Bond Donors 0 RDKit
Rotatable Bonds 38 RDKit
Aromatic Ring Count 0 RDKit
Topological Polar Surface Area 111.19 Ų RDKit
LogP 10.611799999999995 RDKit
10.6118 RDKit
Molar Refractivity 203.87289999999916 cm³/mol RDKit
Ring Count 0 RDKit
Formal Charge 0 RDKit
Fraction Csp3 0.95 RDKit
Exact Mass 733.5621551499999 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 = 734.05 g/mol. Edit any field — others recompute live.

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