Back to Search
Molecule
1,2-Dilauroyl-Sn-Glycero-3-Phosphocholine
CAS: 18194-25-7 · C32H64NO8P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 18194-25-7
- Molecular Formula
- C32H64NO8P
- Molecular Mass
- 621.84 g/mol
Identifiers
CAS Registry Number
18194-25-7
SMILES
CCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC
InChI Key
IJFVSSZAOYLHEE-SSEXGKCCSA-N
InChI
InChI=1S/C32H64NO8P/c1-6-8-10-12-14-16-18-20-22-24-31(34)38-28-30(29-40-42(36,37)39-27-26-33(3,4)5)41-32(35)25-23-21-19-17-15-13-11-9-7-2/h30H,6-29H2,1-5H3/t30-/m1/s1
Names and Synonyms
- 1,2-Dilauroyl-Sn-Glycero-3-Phosphocholine Synonym
- DLPC Synonym
- 3,5,9-Trioxa-4-phosphaheneicosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxododecyl)oxy]-, inner salt, 4-oxide, (7R)- Synonym
- Choline, hydroxide, dihydrogen phosphate, inner salt, ester with 1,2-dilaurin, L- Synonym
- 3,5,9-Trioxa-4-phosphaheneicosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxododecyl)oxy]-, hydroxide, inner salt, 4-oxide, (R)- Synonym
- 1,2-Dilaurin dihydrogen phosphate monoester with L-choline hydroxide inner salt Synonym
- 1,2-Dilauroyl-L-phosphatidylcholine Synonym
- L-Dilauroyllecithin Synonym
- Dilauryllecithin Synonym
- Dilauroyl-L-α-lecithin Synonym
- 1,2-Dilauroyl-sn-glycero-3-phosphorylcholine Synonym
- Dilauroyl-L-α-glycerophosphorylcholine Synonym
- Dilauroylphosphatidylcholine Synonym
- L-α-Di(dodecanoyl) lecithin Synonym
- L-α-Dilauroyl phosphatidylcholine Synonym
- 1,2-Dilauroyl-sn-glycero-3-phosphocholine Synonym
- Dilauroyl-L-α-phosphatidylcholine Synonym
- Dilauroyl-L-α-glycerophosphocholine Synonym
- L-α-Dilauroylglyceryl-3-phosphorylcholine Synonym
- 1,2-Dilauroyl-sn-glycero-3-phosphatidylcholine Synonym
- Didodecanoyl-sn-glycero-3-phosphocholine Synonym
- 1,2-Didodecanoyl-sn-glycero-3-phosphocholine Synonym
- 1,2-Dilauroyl-sn-glycero-3-phosphocholine Synonym
- 1,2-Didodecanoyl-sn-glycero-3-phosphocholine Synonym
- Coatsome MC-1212 Synonym
- L-Dilauroylphosphatidylcholine Synonym
- [(2R)-2,3-Di(dodecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 621.84 g/mol | CAS Common Chemistry |
| 621.8369999999999 g/mol | RDKit | |
| 621.837 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC(OC(=O)CCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C32H64NO8P/c1-6-8-10-12-14-16-18-20-22-24-31(34)38-28-30(29-40-42(36,37)39-27-26-33(3,4)5)41-32(35)25-23-21-19-17-15-13-11-9-7-2/h30H,6-29H2,1-5H3/t30-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=IJFVSSZAOYLHEE-SSEXGKCCSA-N | CAS Common Chemistry |
| Melting Point | -1 °C | CAS Common Chemistry |
| Name | 1,2-Dilauroyl-sn-glycero-3-phosphocholine | CAS Common Chemistry |
| Heavy Atom Count | 42 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 30 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 111.19 Ų | RDKit |
| LogP | 7.4910000000000085 | RDKit |
| 7.491 | RDKit | |
| Molar Refractivity | 166.93689999999964 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9375 | RDKit |
| 0.94 | chempirical lib | |
| Exact Mass | 621.4369546379999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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
Convert
Quick conversion
MW = 621.84 g/mol. Edit any field — others recompute live.
