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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
Names and Synonyms:
1,2-Distearoyl-Sn-Glycero-3-Phosphocholine
L-β,γ-Distearoyl-α-lecithin
Distearoyl-L-α-phosphatidylcholine
L-Distearoyllecithin
Distearoyl-L-α-glycerophosphocholine
L-β,γ-Distearoyl-α-phosphatidylcholine
Distearoyl sn-3-phosphatidylcholine
1,2-Distearoyl-sn-3-phosphocholine
1,2-Distearoyl-sn-glycerophosphocholine
DSPC
1,2-Distearoyl-sn-glycero-3-phosphocholine
1,2-Bis(stearoyl)-sn-glycero-3-phosphocholine
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)-
Distearoylphosphatidylcholine
1,2-Dioctadecanoyl-sn-glycero-3-phosphocholine
Distearoyl-sn-glycero-3-phosphocholine
Coatsome MC 8080
1,2-Distearoyl-sn-glycero-3-phosphatidylcholine
1,2-Dioctadecanoyl-sn-glycero-3-phosphocholine
1,2-Distearoyl-sn-glycero-3-phosphocholine
L-DSPC
[(2R)-2,3-Di(octadecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate
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)-
Choline, hydroxide, dihydrogen phosphate, inner salt, ester with 1,2-distearin, L-
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)-
Choline phosphate, 3-ester with L-1,2-distearin
Distearoyl-L-α-lecithin
1,2-Distearoyl-sn-glycero-3-phosphorylcholine
Dioctadecanoyl-L-α-glycerophosphorylcholine
L-α-Distearoylphosphatidylcholine
1,2-L-α-Distearoylphosphatidylcholine
β,γ-Distearoyl L-α-phosphatidylcholine
1,2-Distearoyl-sn-glycero-3-phosphocholine
1,2-Distearoyl-L-α-glycerophosphocholine
1,2-Distearoyl-3-sn-phosphatidylcholine
Identifiers:
SMILES:
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC
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
Key Properties
Melting Point
230.5-231.5 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 790.16 g/mol | CAS Common Chemistry |
| 790.1609999999991 g/mol | RDKit | |
| 789.6247554059998 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 |
| Molar Refractivity | 222.34089999999895 | RDKit |
