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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.
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 |
