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1,2-Dimyristoyl-Sn-Glycero-3-Phosphocholine
CAS: 18194-24-6 | C36H72NO8P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
18194-24-6
Molecular Formula:
C36H72NO8P
Molecular Weight:
677.9449999999996 g/mol
Names and Synonyms:
1,2-Dimyristoyl-Sn-Glycero-3-Phosphocholine
Synonym
3,5,9-Trioxa-4-phosphatricosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxotetradecyl)oxy]-, inner salt, 4-oxide, (7R)-
Synonym
Choline, hydroxide, dihydrogen phosphate, inner salt, ester with 1,2-dimyristin, L-
Synonym
3,5,9-Trioxa-4-phosphatricosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxotetradecyl)oxy]-, hydroxide, inner salt, 4-oxide, (R)-
Synonym
Choline, phosphate, ester with L-1,2-dimyristin
Synonym
Dimyristoyl-L-α-lecithin
Synonym
L-Dimyristoylphosphatidylcholine
Synonym
1,2-Ditetradecanoyl-sn-glycero-3-phosphorylcholine
Synonym
L-Dimyristoyllecithin
Synonym
L-α-Dimyristoylphosphatidylcholine
Synonym
1,2-Dimyristoyl-sn-glycero-3-phosphorylcholine
Synonym
1,2-Dimyristoyl-L-3-phosphatidylcholine
Synonym
1,2-Dimyristoyl-sn-glycerol-3-phosphocholine
Synonym
1,2-L-α-Dimyristoylphosphatidylcholine
Synonym
β,γ-Dimyristoyl L-α-phosphatidylcholine
Synonym
1,2-Dimyristoyl-sn-glycerophosphocholine
Synonym
Ditetradecanoyllecithin
Synonym
sn-3-Dimyristoyllecithin
Synonym
1,2-Dimyristoyl-sn-glycero-3-phosphocholine
Synonym
1,2-Dimyristoyl-3-sn-phosphatidylcholine
Synonym
1,2-Dimyristoyl-L-phosphatidylcholine
Synonym
1,2-Dimyristoyl-sn-glycerol-3-phosphorylcholine
Synonym
Dimyristoyl-3-sn-phosphatidylcholine
Synonym
L-β,γ-Dimyristoyl-α-lecithin
Synonym
L-α-Dimyristoyllecithin
Synonym
Dimyristoyl-L-α-phosphatidylcholine
Synonym
1,2-Dimyristoyl-sn-3-glycerophosphocholine
Synonym
Dimyristoyl-L-α-glycerophosphocholine
Synonym
Dimyristoylphosphatidylcholine
Synonym
1,2-Dimyristoyl-L-α-phosphatidylcholine
Synonym
L-1,2-Dimyristoylphosphatidylcholine
Synonym
L-β,γ-Dimyristoyl-α-phosphatidylcholine
Synonym
Dimyristoyl sn-3-phosphatidylcholine
Synonym
DMPC
Synonym
1,2-Dimyristoyl-sn-glycero-3-phosphatidylcholine
Synonym
3,5,9-Trioxa-4-phosphatricosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxotetradecyl)oxy]-, inner salt, 4-oxide, (R)-
Synonym
1,2-Dimyristoyl-sn-glycero-3-phosphocholine
Synonym
1,2-Dimyristoyl-sn-phosphatidylcholine
Synonym
1,2-Bis(myristoyl)-sn-glycerophosphocholine
Synonym
1,2-Ditetradecanoyl-sn-glycero-3-phosphocholine
Synonym
1,2-Dimyristoylphosphatidylcholine
Synonym
1,2-Myristoyl-sn-glycero-3-phosphocholine
Synonym
1,2-Ditetradecanoyl-sn-glycero-3-phosphocholine
Synonym
Dimyristoyl-sn-glycero-3-phosphocholine
Synonym
1,2-Dimyristoyl-3-sn-phosphatidylcholine
Synonym
50: PN: WO2017201317 SEQID: 123 claimed RNA
Synonym
1,2-Dimyristoyl-sn-glycero-phosphocholine
Synonym
Anatrace
Synonym
Identifiers:
SMILES:
CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC
InChI:
InChI=1S/C36H72NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-35(38)42-32-34(33-44-46(40,41)43-31-30-37(3,4)5)45-36(39)29-27-25-23-21-19-17-15-13-11-9-7-2/h34H,6-33H2,1-5H3/t34-/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 | 677.9449999999996 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 677.4995548939999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 46 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 8 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 34 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 | 9.051400000000005 | RDKit |
| molecular_mass | 677.95 g/mol | Legacy Database |
| cas-canonical-smile | O=C(OCC(OC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCC None | Legacy Database |
| cas-inchi | InChI=1S/C36H72NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-35(38)42-32-34(33-44-46(40,41)43-31-30-37(3,4)5)45-36(39)29-27-25-23-21-19-17-15-13-11-9-7-2/h34H,6-33H2,1-5H3/t34-/m1/s1 None | Legacy Database |
| cas-inchi-key | InChIKey=CITHEXJVPOWHKC-UUWRZZSWSA-N None | Legacy Database |
| cas-melting-point | 23 °C None | Legacy Database |
| cas-name | 1,2-Dimyristoyl-sn-glycero-3-phosphocholine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 185.4048999999994 | RDKit |