chempirical

Dipalmitoylphosphatidylcholine

C40H80NO8PCAS 63-89-8734.05 g/mol

Open in Covalent MOL file
OOOPOO−ON+OO
EsterPhosphateQuaternary ammonium

Properties

Molecular formula
C40H80NO8P
Molar mass
734.05 g/mol
Exact mass
733.5622 Da
Melting point
234 °C
logP
10.61Crippen estimate
Polar surface area
111.2 Ų
H-bond donors / acceptors
0 / 8
Rotatable bonds
38
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
63-89-8
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC
InChIKey
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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

63 names · show all
  • 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)-
  • Choline, hydroxide, dihydrogen phosphate, inner salt, ester with 1,2-dipalmitin, L-
  • 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)-
  • Palmitin, 1,2-di-, dihydrogen phosphate, monoester with choline hydroxide, inner salt, L-
  • 1,2-Dipalmitoyl-L-phosphatidylcholine
  • β,γ-Dipalmitoyl-L-phosphatidylcholine
  • L-α-Dipalmitoyllecithin
  • 1,2-Dipalmitoyl-L-lecithin
  • Dipalmitoyl-L-lecithin
  • β,γ-Dipalmitoyl-L-(α)-lecithin
  • Dipalmitoyl-L-α-phosphatidylcholine
  • 1,2-Dipalmitoyl-L-3-phosphatidylcholine
  • L-Dipalmitoylphosphatidylcholine
  • 1,2-Dipalmitoyl-3-sn-phosphatidylcholine
  • 1,2-Dipalmitoyl-L-α-lecithin
  • 1,2-Dipalmitoyl-sn-glycero-3-phosphorylcholine
  • Dipalmitoyl-L-3-glycerylphosphorylcholine
  • 1,2-L-α-Dipalmitoylphosphatidylcholine
  • β,γ-Dipalmitoyl L-α-phosphatidylcholine
  • 1,2-Dipalmitoyl-sn-glycerophosphocholine
  • 1,2-Dipalmitoyl-sn-glycerophosphorylcholine
  • Sn-3-Dipalmitoyllecithin
  • 1,2-Dipalmitoyl-sn-glycerol-3-phosphocholine
  • L-1,2-Dipalmitoyl-α-lecithin
  • L-α-1,2-Dipalmitoyl lecithin
  • L-β,γ-Dipalmitoylphosphatidylcholine
  • L-β,γ-Dipalmitoyl-α-lecithin
  • 1,2-Dihexadecanoyl-sn-glycero-3-phosphorylcholine
  • L-α-Dipalmitoylphosphatidylcholine
  • 1,2-Dipalmitoyl-sn-3-glycerophosphocholine
  • L-α-Dipalmitoylecithin
  • 1,2-Dipalmitoyl-L-α-phosphatidylcholine
  • Dipalmitoyl-L-α-lecithin
  • L-Dipalmitoyl lecithin
  • L-β,γ-Dipalmitoyl-α-phosphatidylcholine
  • Dipalmitoyl L-α-phosphatidylcholine
  • Dipalmitoyl-sn-3-phosphatidylcholine
  • 1,2-Dihexadecanoyl-sn-glycerol-3-phosphorylcholine
  • 1,2-Dipalmitoyl-sn-phosphatidylcholine
  • DPPC
  • L-1,2-Dipalmitoylphosphatidylcholine
  • 1,2-Dipalmitoyl-sn-glyceryl-3-phosphocholine
  • Colfosceril palmitate
  • 1,2-Bis(palmitoyl)-sn-glycero-3-phosphocholine
  • 129Y83
  • 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)-
  • 1,2-Bis(hexadecanoyl)-sn-glycero-3-phosphocholine
  • 1,2-Dipalmitoyl-sn-glycero-3-phosphocholine
  • L-DPPC
  • 1,2-Dipalmitoylglycero-3-phosphocholine
  • L-α-DPPC
  • Dihexadecanoyl-sn-glycero-3-phosphocholine
  • 1,2-Dipalmitoyl-sn-glycero-3-phosphatidylcholine
  • 1,2-Dihexadecanoyl-sn-glycero-3-phosphocholine
  • L-α-Lecithin
  • L-Dipalmitoyl phosphatidylcholine
  • 55: PN: WO2017201317 SEQID: 128 claimed RNA
  • Dipalmitoyl-sn-glycero-3-phosphocholine
  • (R)-2,3-Bis(palmitoyloxy)propyl (2-(trimethylammonio)ethyl) phosphate
  • [(2R)-2,3-Di(hexadecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate
  • 1,2-Palmitoyl-sn-glycero-3-phosphocholine
  • 1,2-Dispalmitoyl-sn-phosphatidylcholine
  • 1,2-Dihexadecanoyl-sn-glycero-3-phophocholine

Work with Dipalmitoylphosphatidylcholine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Lauroyl-2-palmitoyl -sn-glycero-3-phosphocholine127641-76-3100 % similar 1-Lauroyl-2-myristoyl-sn-glycero-3-phosphocholine127702-66-3100 % similar 1-Myristoyl-2-lauroyl-sn-glycero-3-phosphocholine127702-67-4100 % similar 1-Lauroyl-2-stearoyl -sn-glycero-3-phosphocholine127912-48-5100 % similar 1,2-Dimyristoyl-sn-glycero-3-phosphocholine18194-24-6100 % similar 1,2-Dilauroyl-sn-glycero-3-phosphocholine18194-25-7100 % similar 1-Myristoyl-2-palmitoyl-sn-glycero-3-phosphocholine69525-80-0100 % similar 1,2-Distearoyl-sn-glycero-3-phosphocholine816-94-4100 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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