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Molecule
1,2-Distearoyl-Sn-Glycero-3-Phosphocholine
CAS: 816-94-4 · C44H88NO8P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 816-94-4
- Molecular Formula
- C44H88NO8P
- Molecular Mass
- 790.16 g/mol
Identifiers
CAS Registry Number
816-94-4
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC
InChI Key
NRJAVPSFFCBXDT-HUESYALOSA-N
InChI
InChI=1S/C44H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h42H,6-41H2,1-5H3/t42-/m1/s1
Names and Synonyms
- 1,2-Distearoyl-Sn-Glycero-3-Phosphocholine Synonym
- L-β,γ-Distearoyl-α-lecithin Synonym
- Distearoyl-L-α-phosphatidylcholine Synonym
- L-Distearoyllecithin Synonym
- Distearoyl-L-α-glycerophosphocholine Synonym
- L-β,γ-Distearoyl-α-phosphatidylcholine Synonym
- Distearoyl sn-3-phosphatidylcholine Synonym
- 1,2-Distearoyl-sn-3-phosphocholine Synonym
- 1,2-Distearoyl-sn-glycerophosphocholine Synonym
- DSPC Synonym
- 1,2-Distearoyl-sn-glycero-3-phosphocholine Synonym
- 1,2-Bis(stearoyl)-sn-glycero-3-phosphocholine Synonym
- 3,5,9-Trioxa-4-phosphaheptacosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxooctadecyl)oxy]-, inner salt, 4-oxide, (R)- Synonym
- Distearoylphosphatidylcholine Synonym
- 1,2-Dioctadecanoyl-sn-glycero-3-phosphocholine Synonym
- Distearoyl-sn-glycero-3-phosphocholine Synonym
- Coatsome MC 8080 Synonym
- 1,2-Distearoyl-sn-glycero-3-phosphatidylcholine Synonym
- 1,2-Dioctadecanoyl-sn-glycero-3-phosphocholine Synonym
- 1,2-Distearoyl-sn-glycero-3-phosphocholine Synonym
- L-DSPC Synonym
- [(2R)-2,3-Di(octadecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate Synonym
- 3,5,9-Trioxa-4-phosphaheptacosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxooctadecyl)oxy]-, inner salt, 4-oxide, (7R)- Synonym
- Choline, hydroxide, dihydrogen phosphate, inner salt, ester with 1,2-distearin, L- Synonym
- 3,5,9-Trioxa-4-phosphaheptacosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxooctadecyl)oxy]-, hydroxide, inner salt, 4-oxide, (R)- Synonym
- Choline phosphate, 3-ester with L-1,2-distearin Synonym
- Distearoyl-L-α-lecithin Synonym
- 1,2-Distearoyl-sn-glycero-3-phosphorylcholine Synonym
- Dioctadecanoyl-L-α-glycerophosphorylcholine Synonym
- L-α-Distearoylphosphatidylcholine Synonym
- 1,2-L-α-Distearoylphosphatidylcholine Synonym
- β,γ-Distearoyl L-α-phosphatidylcholine Synonym
- 1,2-Distearoyl-sn-glycero-3-phosphocholine Synonym
- 1,2-Distearoyl-L-α-glycerophosphocholine Synonym
- 1,2-Distearoyl-3-sn-phosphatidylcholine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 790.16 g/mol | CAS Common Chemistry |
| 790.1609999999991 g/mol | RDKit | |
| 790.161 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C44H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h42H,6-41H2,1-5H3/t42-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=NRJAVPSFFCBXDT-HUESYALOSA-N | CAS Common Chemistry |
| Melting Point | 230.5-231.5 °C | CAS Common Chemistry |
| Name | 1,2-Distearoyl-sn-glycero-3-phosphocholine | CAS Common Chemistry |
| Heavy Atom Count | 54 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 42 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 111.19 Ų | RDKit |
| LogP | 12.172199999999988 | RDKit |
| 12.1722 | RDKit | |
| Molar Refractivity | 222.34089999999895 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9545 | RDKit |
| 0.95 | chempirical lib | |
| Exact Mass | 789.6247554059998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 790.16 g/mol. Edit any field — others recompute live.
