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Zinc Methionine Sulfate
CAS: 56329-42-1 | C5H11NO6S2Zn
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
56329-42-1
Molecular Formula:
C5H11NO6S2Zn
Molecular Mass:
310.67 g/mol
Names and Synonyms:
Zinc Methionine Sulfate
Zincate(1-), (L-methioninato-κN,κO,κS)[sulfato(2-)-κO]-, hydrogen (1:1), (T-4)-
Zincate(1-), (L-methioninato-N,O,S)[sulfato(2-)-O]-, hydrogen, (T-4)-
Zincate(1-), (L-methioninato-κN,κO,κS)[sulfato(2-)-κO]-, hydrogen, (T-4)-
L-Methionine, zinc complex
Sulfuric acid, zinc complex
Zinc methionine bisulfate
Zinc methionine sulfate
Identifiers:
SMILES:
CSCCC(N)C(=O)[O-].O=S(=O)([O-])O.[Zn+2]
InChI:
InChI=1S/C5H11NO2S.H2O4S.Zn/c1-9-3-2-4(6)5(7)8;1-5(2,3)4;/h4H,2-3,6H2,1H3,(H,7,8);(H2,1,2,3,4);/q;;+2/p-2
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 | 310.67 g/mol | CAS Common Chemistry |
| 310.668 g/mol | RDKit | |
| 308.931921272 g/mol | RDKit | |
| Canonical SMILES | [H+].O=C1[O-][Zn+2]2([O-]S(=O)(=O)[O-])[S](C)CCC1[NH2]2 | CAS Common Chemistry |
| InChI | InChI=1S/C5H11NO2S.H2O4S.Zn/c1-9-3-2-4(6)5(7)8;1-5(2,3)4;/h4H,2-3,6H2,1H3,(H,7,8);(H2,1,2,3,4);/q;;+2/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=ROUREIAZUKQVBD-UHFFFAOYSA-L | CAS Common Chemistry |
| Name | Zinc methionine sulfate | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 143.57999999999998 Ų | RDKit |
| LogP | -2.181199999999998 | RDKit |
| Molar Refractivity | 48.307400000000015 | RDKit |
