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Glutathione
CAS: 70-18-8 | C10H17N3O6S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
70-18-8
Molecular Formula:
C10H17N3O6S
Molecular Mass:
307.33 g/mol
Names and Synonyms:
Glutathione
Glycine, L-γ-glutamyl-L-cysteinyl-
Glutathione
Glycine, N-(N-L-γ-glutamyl-L-cysteinyl)-
L-γ-Glutamyl-L-cysteinylglycine
γ-L-Glutamyl-L-cysteinylglycine
Glutathione-SH
GSH
L-Glutathione
Reduced glutathione
Triptide
Glutide
Tathion
Tathione
Copren
Deltathione
Glutathion
Glutinal
Isethion
Neuthion
Agifutol S
γ-Glutamylcysteinylglycine
N-(N-L-γ-Glutamyl-L-cysteinyl)glycine
Bakezyme RX
ReadiSorb
Atomolan
High Thione Extract YH 15
N5-((R)-1-((Carboxymethyl)amino)-3-mercapto-1-oxopropan-2-yl)-L-glutamine
TAD 600
Identifiers:
SMILES:
N[C@@H](CCC(O)=N[C@@H](CS)C(O)=NCC(=O)O)C(=O)O
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
Key Properties
Melting Point
195 °C
CAS Common Chemistry
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 | 307.33 g/mol | CAS Common Chemistry |
| 307.32800000000003 g/mol | RDKit | |
| 307.083806264 g/mol | RDKit | |
| 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 |
| LogP | -0.525499999999999 | RDKit |
| Molar Refractivity | 75.11660000000002 | RDKit |
