Glutathione disulfide
Athanor · official
C20H32N6O12S2 · 612.6 g/mol
IUPAC name: 2-amino-5-[[(2R)-3-[[(2R)-2-[(4-amino-4-carboxybutanoyl)amino]-3-(carboxymethylamino)-3-oxopropyl]disulfanyl]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Also called GSSG, oxidized glutathione, glutathione dimer
Names and identifiers
- IUPAC name
- 2-amino-5-[[(2R)-3-[[(2R)-2-[(4-amino-4-carboxybutanoyl)amino]-3-(carboxymethylamino)-3-oxopropyl]disulfanyl]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
- Synonyms
- GSSG, oxidized glutathione, glutathione dimer
+ 1 more
oxiglutathione
- Molecular formula
- C20H32N6O12S2
- Empirical formula
- C10H16N3O6S
- Molecular weight
- 612.6 g/mol
- Exact mass
- 612.15196
- CAS number
- 27025-41-8
- PubChem CID
- 10123986
- Canonical SMILES
- C(CC(=O)NC(CSSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)C(=O)NCC(=O)O)C(C(=O)O)N
- Isomeric SMILES
- C(CC(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)C(=O)NCC(=O)O)C(C(=O)O)N
- InChI
- InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/t9?,10?,11-,12-/m0/s1
- InChIKey
- YPZRWBKMTBYPTK-QQFIATSDSA-N
- Molfile
Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.
Calculated
- Heavy atoms
- 40
- Rings
- 0
- Aromatic rings
- 0
- Fraction sp³ carbons (Fsp3)
- 0.6
- H-bond donors
- 10
- H-bond acceptors
- 12 computed here · PubChem 16
- Rotatable bonds
- 21
- TPSA (Ų)
- 317.6 computed here · PubChem 368
- Formal charge
- 0
- XLogP3
- -9.1 PubChem
- Complexity
- 879 PubChem
- Stereocenters
- 2 defined, 2 undefinedCIP: C2: undefined · C8: R · C13: R · C19: undefined
- Double-bond geometry
- None specified
- Point group
- C1 of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)
Elemental analysis
- C39.21%
- H5.27%
- N13.72%
- O31.34%
- S10.47%
Isotope pattern
Each peak is a nominal mass with its abundance-weighted exact mass, as a percentage of the tallest, from IUPAC natural isotope abundances.
Computed from the structure with RDKit 2026.09 when this page was built, beside PubChem's own computed values from its record; where the two differ, both are shown.
Predicted
- log P
- -3.88 Crippen (Wildman and Crippen 1999)
- log S (water solubility)
- 0.19 ESOL (Delaney 2004), log mol/L
- Synthetic accessibility
- 3.97 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)
Drug-likeness: Lipinski’s rule of five
- Molecular weight ≤ 500: 612.64
- log P ≤ 5 (Crippen): -3.88
- H-bond donors ≤ 5: 10
- H-bond acceptors ≤ 10: 12
Breaks 3 of the four rules.
¹³C NMR shifts, predicted
Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.
Safety
No GHS hazard classification was found in the sources.
Safety data sheets on the supplier’s page: Ambinter.
Always read the supplier’s safety data sheet before working with it.
Literature
Reading PubChem, OpenAlex and GSRS…
Bioactivity
Reading ChEMBL…
References
- ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
- ·Literature on PubChem
Data last updated 2026-10-14.