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1,2-Distearoyl-Sn-Glycero-3-Phosphoethanolamine
CAS: 1069-79-0 | C41H82NO8P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1069-79-0
Molecular Formula:
C41H82NO8P
Molecular Mass:
748.08 g/mol
Names and Synonyms:
1,2-Distearoyl-Sn-Glycero-3-Phosphoethanolamine
Octadecanoic acid, 1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy]methyl]-1,2-ethanediyl ester, (R)-
Octadecanoic acid, (1R)-1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy]methyl]-1,2-ethanediyl ester
L-β,γ-Distearoyl-α-phosphatidylethanolamine
L-α-Distearoylphosphatidylethanolamine
1,2-Distearoyl-sn-glycero-3-phosphoethanolamine
(R)-Distearoylphosphatidylethanolamine
1,2-Distearoyl-sn-glycero-3-phosphatidylethanolamine
Distearoyl-L-α-phosphatidylethanolamine
DSPE
1,2-Distearoyl-sn-glycero-3-phosphorylethanolamine
64: PN: WO2017201317 SEQID: 137 claimed RNA
Octadecanoic acid, 1,1′-[(1R)-1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy]methyl]-1,2-ethanediyl] ester
Stearin, 1,2-di-, 2-aminoethyl hydrogen phosphate, L-
Coatsome ME 8080
Identifiers:
SMILES:
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC
InChI:
InChI=1S/C41H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39H,3-38,42H2,1-2H3,(H,45,46)/t39-/m1/s1
Key Properties
Melting Point
173-175 °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 | 748.08 g/mol | CAS Common Chemistry |
| 748.0799999999991 g/mol | RDKit | |
| 747.5778052139999 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C41H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39H,3-38,42H2,1-2H3,(H,45,46)/t39-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=LVNGJLRDBYCPGB-LDLOPFEMSA-N | CAS Common Chemistry |
| Melting Point | 173-175 °C | CAS Common Chemistry |
| Name | 1,2-Distearoyl-sn-glycero-3-phosphoethanolamine | CAS Common Chemistry |
| Heavy Atom Count | 51 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 41 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 134.38 Ų | RDKit |
| LogP | 12.056699999999987 | RDKit |
| Molar Refractivity | 210.71469999999914 | RDKit |
