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Molecule
Sodium Stearoyl Glutamate
CAS: 38517-23-6 · C23H43NNaO5
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 38517-23-6
- Molecular Formula
- C23H43NNaO5
- Molecular Mass
- 436.59 g/mol
Identifiers
CAS Registry Number
38517-23-6
SMILES
CCCCCCCCCCCCCCCCCC(O)=N[C@@H](CCC(=O)O)C(=O)O.[Na]
InChI Key
FTSXCFQXTFOYQH-BDQAORGHSA-N
InChI
InChI=1S/C23H43NO5.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(25)24-20(23(28)29)18-19-22(26)27;/h20H,2-19H2,1H3,(H,24,25)(H,26,27)(H,28,29);/t20-;/m0./s1
Names and Synonyms
- Sodium Stearoyl Glutamate Synonym
- L-Glutamic acid, N-(1-oxooctadecyl)-, sodium salt (1:1) Synonym
- L-Glutamic acid, N-(1-oxooctadecyl)-, monosodium salt Synonym
- Monosodium N-stearoyl-L-glutamate Synonym
- N-Stearoyl-L-glutamic acid sodium salt Synonym
- Sodium N-stearoylglutamate Synonym
- N-Stearoyl-L-glutamic acid monosodium salt Synonym
- Amisoft HS 11 Synonym
- Acylglutamate HS 11 Synonym
- Monosodium N-stearoylglutamate Synonym
- Amisoft HS 11P Synonym
- Sodium stearoyl glutamate Synonym
- Eumulgin SG Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 436.59 g/mol | CAS Common Chemistry |
| 436.5890000000001 g/mol | RDKit | |
| 436.589 g/mol | RDKit | |
| 437.597 g/mol | chempirical lib | |
| Canonical SMILES | [Na].O=C(O)CCC(NC(=O)CCCCCCCCCCCCCCCCC)C(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C23H43NO5.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(25)24-20(23(28)29)18-19-22(26)27;/h20H,2-19H2,1H3,(H,24,25)(H,26,27)(H,28,29);/t20-;/m0./s1 | CAS Common Chemistry |
| InChI Key | InChIKey=FTSXCFQXTFOYQH-BDQAORGHSA-N | CAS Common Chemistry |
| Name | Sodium stearoyl glutamate | CAS Common Chemistry |
| Heavy Atom Count | 30 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 21 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 107.19000000000001 Ų | RDKit |
| 107.19 Ų | RDKit | |
| LogP | 6.141600000000005 | RDKit |
| 6.1416 | RDKit | |
| 6.63 | chempirical lib | |
| Molar Refractivity | 123.65740000000012 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8696 | RDKit |
| 0.87 | chempirical lib | |
| Exact Mass | 436.3038927559999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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5
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3
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
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MW = 436.59 g/mol. Edit any field — others recompute live.
