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Molecule
Dimyristoylphosphatidylethanolamine
CAS: 998-07-2 · C33H66NO8P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 998-07-2
- Molecular Formula
- C33H66NO8P
- Molecular Mass
- 635.86 g/mol
Identifiers
CAS Registry Number
998-07-2
SMILES
CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC
InChI Key
NEZDNQCXEZDCBI-WJOKGBTCSA-N
InChI
InChI=1S/C33H66NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-32(35)39-29-31(30-41-43(37,38)40-28-27-34)42-33(36)26-24-22-20-18-16-14-12-10-8-6-4-2/h31H,3-30,34H2,1-2H3,(H,37,38)/t31-/m1/s1
Names and Synonyms
- Dimyristoylphosphatidylethanolamine Common Name
- Tetradecanoic acid, (1R)-1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy]methyl]-1,2-ethanediyl ester Synonym
- 1,2-Dimyristoyl-sn-glycero-3-phosphoethanolamine Synonym
- L-α-Dimyristoylphosphatidylethanolamine Synonym
- β,γ-Dimyristoyl-L-α-phosphatidylethanolamine Synonym
- Dimyristoyl-L-α-phosphatidylethanolamine Synonym
- (R)-Dimyristoylphosphatidylethanolamine Synonym
- 1,2-Dimyristoyl-3-sn-phosphatidylethanolamine Synonym
- 1,2-Dimyristoyl-sn-glycero-phosphoethanolamine Synonym
- 1,2-Dimyristoyl-sn-glycero-3-phosphoethanolamine Synonym
- DMPE Synonym
- 1,2-Dimyristoyl-sn-glycero-3-phosphatidylethanolamine Synonym
- 1,2-Dimyristoylsn-glycero-3-phospholethanolamine Synonym
- 1,2-Ditetradecanoyl-sn-glycero-3-phosphoethanolamine Synonym
- 2-Azaniumylethyl [(2R)-2,3-di(tetradecanoyloxy)propyl] phosphate Synonym
- Myristin, 1,2-di-, 2-aminoethyl hydrogen phosphate, L- Synonym
- Tetradecanoic acid, 1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy]methyl]-1,2-ethanediyl ester, (R)- Synonym
- Phosphoric acid, mono(2-aminoethyl) ester, monoester with 1,2-dimyristin, L- Synonym
- Dimyristoyl-sn-glycerol-3-phosphorylethanolamine Synonym
- 1,2-Dimyristoyl-L-3-phosphatidylethanolamine Synonym
- 1,2-Dimyristoyl-sn-glycero-3-phosphorylethanolamine Synonym
- L-β,γ-Dimyristoyl-α-phosphatidylethanolamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 635.86 g/mol | CAS Common Chemistry |
| 635.8639999999998 g/mol | RDKit | |
| 635.864 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Dimyristoylphosphatidylethanolamine | CAS Common Chemistry |
| Canonical SMILES | O=C(OCC(OC(=O)CCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C33H66NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-32(35)39-29-31(30-41-43(37,38)40-28-27-34)42-33(36)26-24-22-20-18-16-14-12-10-8-6-4-2/h31H,3-30,34H2,1-2H3,(H,37,38)/t31-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=NEZDNQCXEZDCBI-WJOKGBTCSA-N | CAS Common Chemistry |
| Melting Point | 174-175 °C | CAS Common Chemistry |
| Name | (R)-Dimyristoylphosphatidylethanolamine | CAS Common Chemistry |
| Heavy Atom Count | 43 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 33 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 134.38 Ų | RDKit |
| LogP | 8.935900000000006 | RDKit |
| 8.9359 | RDKit | |
| Molar Refractivity | 173.7786999999996 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9394 | RDKit |
| 0.94 | chempirical lib | |
| Exact Mass | 635.4526047019999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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 = 635.86 g/mol. Edit any field — others recompute live.
