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Sodium Stearoyl Glutamate
CAS: 38517-23-6 | C23H43NNaO5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
38517-23-6
Molecular Formula:
C23H43NNaO5
Molecular Mass:
436.59 g/mol
Names and Synonyms:
Sodium Stearoyl Glutamate
L-Glutamic acid, N-(1-oxooctadecyl)-, sodium salt (1:1)
L-Glutamic acid, N-(1-oxooctadecyl)-, monosodium salt
Monosodium N-stearoyl-L-glutamate
N-Stearoyl-L-glutamic acid sodium salt
Sodium N-stearoylglutamate
N-Stearoyl-L-glutamic acid monosodium salt
Amisoft HS 11
Acylglutamate HS 11
Monosodium N-stearoylglutamate
Amisoft HS 11P
Sodium stearoyl glutamate
Eumulgin SG
Identifiers:
SMILES:
CCCCCCCCCCCCCCCCCC(O)=N[C@@H](CCC(=O)O)C(=O)O.[Na]
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
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 | 436.59 g/mol | CAS Common Chemistry |
| 436.5890000000001 g/mol | RDKit | |
| 436.3038927559999 g/mol | RDKit | |
| 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 |
| LogP | 6.141600000000005 | RDKit |
| Molar Refractivity | 123.65740000000012 | RDKit |
