Back to Search

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 Common Name

1,2-Dihexadecanoyl-sn-glycero-3-phophocholine Synonym

1,2-Dispalmitoyl-sn-phosphatidylcholine Synonym

1,2-Palmitoyl-sn-glycero-3-phosphocholine Synonym

[(2R)-2,3-Di(hexadecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate Synonym

(R)-2,3-Bis(palmitoyloxy)propyl (2-(trimethylammonio)ethyl) phosphate Synonym

1,2-Dipalmitoyl-sn-glycero-3-phosphatidylcholine Synonym

1,2-Dipalmitoyl-sn-glycerol-3-phosphocholine Synonym

Dipalmitoyl-sn-glycero-3-phosphocholine Synonym

55: PN: WO2017201317 SEQID: 128 claimed RNA Synonym

L-Dipalmitoyl phosphatidylcholine Synonym

1,2-Dipalmitoyl-3-sn-phosphatidylcholine Synonym

L-α-Lecithin Synonym

1,2-Dihexadecanoyl-sn-glycero-3-phosphocholine Synonym

1,2-Dipalmitoyl-sn-glycero-3-phosphatidylcholine Synonym

Dihexadecanoyl-sn-glycero-3-phosphocholine Synonym

L-α-DPPC Synonym

1,2-Dipalmitoylglycero-3-phosphocholine Synonym

L-DPPC Synonym

1,2-Dipalmitoyl-sn-glycero-3-phosphocholine Synonym

1,2-Bis(hexadecanoyl)-sn-glycero-3-phosphocholine 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

129Y83 Synonym

Dipalmitoylphosphatidylcholine Synonym

1,2-Bis(palmitoyl)-sn-glycero-3-phosphocholine Synonym

Colfosceril palmitate Synonym

1,2-Dipalmitoyl-sn-glyceryl-3-phosphocholine Synonym

L-1,2-Dipalmitoylphosphatidylcholine Synonym

DPPC Synonym

1,2-Dipalmitoyl-sn-phosphatidylcholine Synonym

1,2-Dihexadecanoyl-sn-glycerol-3-phosphorylcholine Synonym

Dipalmitoyl-sn-3-phosphatidylcholine Synonym

Dipalmitoyl L-α-phosphatidylcholine Synonym

L-β,γ-Dipalmitoyl-α-phosphatidylcholine Synonym

L-Dipalmitoyl lecithin Synonym

Dipalmitoyl-L-α-lecithin Synonym

1,2-Dipalmitoyl-L-α-phosphatidylcholine Synonym

L-α-Dipalmitoylecithin Synonym

1,2-Dipalmitoyl-sn-3-glycerophosphocholine Synonym

L-α-Dipalmitoylphosphatidylcholine Synonym

1,2-Dihexadecanoyl-sn-glycero-3-phosphorylcholine Synonym

L-β,γ-Dipalmitoyl-α-lecithin Synonym

L-β,γ-Dipalmitoylphosphatidylcholine Synonym

L-α-1,2-Dipalmitoyl lecithin Synonym

L-1,2-Dipalmitoyl-α-lecithin Synonym

1,2-Dipalmitoyl-sn-glycerol-3-phosphocholine Synonym

sn-3-Dipalmitoyllecithin Synonym

1,2-Dipalmitoyl-sn-glycerophosphorylcholine Synonym

1,2-Dipalmitoyl-sn-glycerophosphocholine Synonym

1,2-Dipalmitoyl-sn-glycero-3-phosphorylcholine Synonym

β,γ-Dipalmitoyl L-α-phosphatidylcholine Synonym

1,2-L-α-Dipalmitoylphosphatidylcholine Synonym

Dipalmitoyl-L-3-glycerylphosphorylcholine Synonym

1,2-Dipalmitoyl-sn-glycero-3-phosphorylcholine Synonym

1,2-Dipalmitoyl-L-α-lecithin Synonym

1,2-Dipalmitoyl-3-sn-phosphatidylcholine Synonym

L-Dipalmitoylphosphatidylcholine Synonym

1,2-Dipalmitoyl-L-3-phosphatidylcholine Synonym

Dipalmitoyl-L-α-phosphatidylcholine Synonym

β,γ-Dipalmitoyl-L-(α)-lecithin Synonym

Dipalmitoyl-L-lecithin Synonym

1,2-Dipalmitoyl-L-lecithin Synonym

L-α-Dipalmitoyllecithin Synonym

β,γ-Dipalmitoyl-L-phosphatidylcholine Synonym

1,2-Dipalmitoyl-L-phosphatidylcholine Synonym

Palmitin, 1,2-di-, dihydrogen phosphate, monoester with choline hydroxide, inner salt, 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

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]-, inner salt, 4-oxide, (7R)- Synonym

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

PubChem CAS NIST

All Properties

Comprehensive physical and chemical properties

Physical Properties

Property	Value	Source
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
LogP	10.611799999999995	RDKit

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 Å²	RDKit

Molar

Property	Value	Source
Molar Refractivity	203.87289999999916	RDKit