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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 Weight: 734.0529999999993 g/mol

Names and Synonyms:

Dipalmitoylphosphatidylcholine
1,2-Dihexadecanoyl-sn-glycero-3-phophocholine
1,2-Dispalmitoyl-sn-phosphatidylcholine
1,2-Palmitoyl-sn-glycero-3-phosphocholine
[(2R)-2,3-Di(hexadecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate
(R)-2,3-Bis(palmitoyloxy)propyl (2-(trimethylammonio)ethyl) phosphate
1,2-Dipalmitoyl-sn-glycero-3-phosphatidylcholine
1,2-Dipalmitoyl-sn-glycerol-3-phosphocholine
Dipalmitoyl-sn-glycero-3-phosphocholine
55: PN: WO2017201317 SEQID: 128 claimed RNA
L-Dipalmitoyl phosphatidylcholine
1,2-Dipalmitoyl-3-sn-phosphatidylcholine
L-α-Lecithin
1,2-Dihexadecanoyl-sn-glycero-3-phosphocholine
1,2-Dipalmitoyl-sn-glycero-3-phosphatidylcholine
Dihexadecanoyl-sn-glycero-3-phosphocholine
L-α-DPPC
1,2-Dipalmitoylglycero-3-phosphocholine
L-DPPC
1,2-Dipalmitoyl-sn-glycero-3-phosphocholine
1,2-Bis(hexadecanoyl)-sn-glycero-3-phosphocholine
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)-
129Y83
Dipalmitoylphosphatidylcholine
1,2-Bis(palmitoyl)-sn-glycero-3-phosphocholine
Colfosceril palmitate
1,2-Dipalmitoyl-sn-glyceryl-3-phosphocholine
L-1,2-Dipalmitoylphosphatidylcholine
DPPC
1,2-Dipalmitoyl-sn-phosphatidylcholine
1,2-Dihexadecanoyl-sn-glycerol-3-phosphorylcholine
Dipalmitoyl-sn-3-phosphatidylcholine
Dipalmitoyl L-α-phosphatidylcholine
L-β,γ-Dipalmitoyl-α-phosphatidylcholine
L-Dipalmitoyl lecithin
Dipalmitoyl-L-α-lecithin
1,2-Dipalmitoyl-L-α-phosphatidylcholine
L-α-Dipalmitoylecithin
1,2-Dipalmitoyl-sn-3-glycerophosphocholine
L-α-Dipalmitoylphosphatidylcholine
1,2-Dihexadecanoyl-sn-glycero-3-phosphorylcholine
L-β,γ-Dipalmitoyl-α-lecithin
L-β,γ-Dipalmitoylphosphatidylcholine
L-α-1,2-Dipalmitoyl lecithin
L-1,2-Dipalmitoyl-α-lecithin
1,2-Dipalmitoyl-sn-glycerol-3-phosphocholine
sn-3-Dipalmitoyllecithin
1,2-Dipalmitoyl-sn-glycerophosphorylcholine
1,2-Dipalmitoyl-sn-glycerophosphocholine
1,2-Dipalmitoyl-sn-glycero-3-phosphorylcholine
β,γ-Dipalmitoyl L-α-phosphatidylcholine
1,2-L-α-Dipalmitoylphosphatidylcholine
Dipalmitoyl-L-3-glycerylphosphorylcholine
1,2-Dipalmitoyl-sn-glycero-3-phosphorylcholine
1,2-Dipalmitoyl-L-α-lecithin
1,2-Dipalmitoyl-3-sn-phosphatidylcholine
L-Dipalmitoylphosphatidylcholine
1,2-Dipalmitoyl-L-3-phosphatidylcholine
Dipalmitoyl-L-α-phosphatidylcholine
β,γ-Dipalmitoyl-L-(α)-lecithin
Dipalmitoyl-L-lecithin
1,2-Dipalmitoyl-L-lecithin
L-α-Dipalmitoyllecithin
β,γ-Dipalmitoyl-L-phosphatidylcholine
1,2-Dipalmitoyl-L-phosphatidylcholine
Palmitin, 1,2-di-, dihydrogen phosphate, monoester with choline hydroxide, inner salt, 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)-
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]-, inner salt, 4-oxide, (7R)-

Identifiers:

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

Spectral Data

NMR, IR, and Mass spectral data

1H NMR
13C NMR
Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment
200 ppm 180 160 140 120 100 80 60 40 20 0 ppm
Shift (ppm) DEPT Assignment

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

External Resources

All Properties

Comprehensive physical and chemical properties

Molecular

Property Value Source
Molecular Weight 734.0529999999993 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 733.5621551499999 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 50 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 8 count RDKit
Hydrogen Bond Donors 0 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 38 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 0 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 111.19 Ų RDKit

Physical Properties

Property Value Source
LogP 10.611799999999995 RDKit
molecular_mass 734.05 g/mol Legacy Database
wikipedia_url https://en.wikipedia.org/wiki/Dipalmitoylphosphatidylcholine None Legacy Database
cas-canonical-smile O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCC None Legacy Database
cas-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 None Legacy Database
cas-inchi-key InChIKey=KILNVBDSWZSGLL-KXQOOQHDSA-N None Legacy Database
cas-melting-point 234 °C None Legacy Database
cas-name 1,2-Dipalmitoyl-sn-glycero-3-phosphocholine None Legacy Database
wikipedia-name Dipalmitoylphosphatidylcholine None Legacy Database

Molar

Property Value Source
Molar Refractivity 203.87289999999916 RDKit

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