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Molecule
Glutathione
CAS: 70-18-8 · C10H17N3O6S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 70-18-8
- Molecular Formula
- C10H17N3O6S
- Molecular Mass
- 307.33 g/mol
Identifiers
CAS Registry Number
70-18-8
SMILES
N[C@@H](CCC(O)=N[C@@H](CS)C(O)=NCC(=O)O)C(=O)O
InChI Key
RWSXRVCMGQZWBV-WDSKDSINSA-N
InChI
InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1
Names and Synonyms
- Glutathione Common Name
- Glycine, L-γ-glutamyl-L-cysteinyl- Synonym
- Glutathione Synonym
- Glycine, N-(N-L-γ-glutamyl-L-cysteinyl)- Synonym
- L-γ-Glutamyl-L-cysteinylglycine Synonym
- γ-L-Glutamyl-L-cysteinylglycine Synonym
- Glutathione-SH Synonym
- GSH Synonym
- L-Glutathione Synonym
- Reduced glutathione Synonym
- Triptide Synonym
- Glutide Synonym
- Tathion Synonym
- Tathione Synonym
- Copren Synonym
- Deltathione Synonym
- Glutathion Synonym
- Glutinal Synonym
- Isethion Synonym
- Neuthion Synonym
- Agifutol S Synonym
- γ-Glutamylcysteinylglycine Synonym
- N-(N-L-γ-Glutamyl-L-cysteinyl)glycine Synonym
- Bakezyme RX Synonym
- ReadiSorb Synonym
- Atomolan Synonym
- High Thione Extract YH 15 Synonym
- N5-((R)-1-((Carboxymethyl)amino)-3-mercapto-1-oxopropan-2-yl)-L-glutamine Synonym
- TAD 600 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 307.33 g/mol | CAS Common Chemistry |
| 307.32800000000003 g/mol | RDKit | |
| 307.328 g/mol | RDKit | |
| 307.321 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Glutathione | CAS Common Chemistry |
| Canonical SMILES | O=C(O)CNC(=O)C(NC(=O)CCC(N)C(=O)O)CS | CAS Common Chemistry |
| InChI | InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=RWSXRVCMGQZWBV-WDSKDSINSA-N | CAS Common Chemistry |
| Melting Point | 195 °C | CAS Common Chemistry |
| Name | Glutathione | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 6 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 165.79999999999998 Ų | RDKit |
| 165.8 Ų | RDKit | |
| LogP | -0.525499999999999 | RDKit |
| -0.5255 | RDKit | |
| Molar Refractivity | 75.11660000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 307.083806264 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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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.
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MW = 307.33 g/mol. Edit any field — others recompute live.
