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Molecule
N-Myristoyl-L-Glutamic Acid Sodium Salt
CAS: 38517-37-2 · C19H35NNaO5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 38517-37-2
- Molecular Formula
- C19H35NNaO5
- Molecular Mass
- 380.48 g/mol
Identifiers
CAS Registry Number
38517-37-2
SMILES
CCCCCCCCCCCCCC(O)=N[C@@H](CCC(=O)O)C(=O)O.[Na]
InChI Key
FCBUGCHAVCFTHW-NTISSMGPSA-N
InChI
InChI=1S/C19H35NO5.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(21)20-16(19(24)25)14-15-18(22)23;/h16H,2-15H2,1H3,(H,20,21)(H,22,23)(H,24,25);/t16-;/m0./s1
Names and Synonyms
- N-Myristoyl-L-Glutamic Acid Sodium Salt Synonym
- L-Glutamic acid, N-(1-oxotetradecyl)-, sodium salt (1:1) Synonym
- L-Glutamic acid, N-(1-oxotetradecyl)-, monosodium salt Synonym
- N-Myristoyl-L-glutamic acid monosodium salt Synonym
- Monosodium N-myristoyl-L-glutamate Synonym
- Amisoft MS 11 Synonym
- Acylglutamate MS 11 Synonym
- Monosodium N-myristoylglutamate Synonym
- N-Myristoyl-L-glutamic acid sodium salt Synonym
- Sodium myristoylglutamate Synonym
- Aminosurfact AMMS-P 1 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 380.48 g/mol | CAS Common Chemistry |
| 380.4810000000001 g/mol | RDKit | |
| 380.481 g/mol | RDKit | |
| 381.489 g/mol | chempirical lib | |
| Canonical SMILES | [Na].O=C(O)CCC(NC(=O)CCCCCCCCCCCCC)C(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C19H35NO5.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(21)20-16(19(24)25)14-15-18(22)23;/h16H,2-15H2,1H3,(H,20,21)(H,22,23)(H,24,25);/t16-;/m0./s1 | CAS Common Chemistry |
| InChI Key | InChIKey=FCBUGCHAVCFTHW-NTISSMGPSA-N | CAS Common Chemistry |
| Name | N-Myristoyl-L-glutamic acid sodium salt | CAS Common Chemistry |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 17 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 107.19000000000001 Ų | RDKit |
| 107.19 Ų | RDKit | |
| LogP | 4.581200000000002 | RDKit |
| 4.5812 | RDKit | |
| Molar Refractivity | 105.18940000000008 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8421 | RDKit |
| 0.84 | chempirical lib | |
| Exact Mass | 380.24129249999993 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
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20
0 ppm
| 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 = 380.48 g/mol. Edit any field — others recompute live.
