S-(6-Purinyl)glutathione

Base Information

• Chemical Name: S-(6-Purinyl)glutathione
• CAS No.: 136040-02-3
• Molecular Formula: C15H19 N7 O6 S
• Molecular Weight: 425.42
• DSSTox Substance ID: DTXSID60929243
• Wikidata: Q82904077
• Mol file: 136040-02-3.mol

Synonyms:S-(6-purinyl)glutathione

Chemical Property of S-(6-Purinyl)glutathione

Chemical Property:

• Vapor Pressure: 3.27E-31mmHg at 25°C
• Boiling Point: 856.1°Cat760mmHg
• Flash Point: 471.5°C
• PSA: 243.78000
• Density: 1.65g/cm³
• LogP: -0.19520
• XLogP3: -6.6
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 10
• Exact Mass: 425.11175252
• Heavy Atom Count: 29
• Complexity: 638

Purity/Quality:

S-(6-PURINYL)GLUTATHIONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=NC2=C(N1)C(=NC=N2)SCC(C(=O)N(CC(=O)O)C(=O)CCC(C(=O)O)N)N
• Isomeric SMILES: C1=NC2=C(N1)C(=NC=N2)SC[C@@H](C(=O)N(CC(=O)O)C(=O)CC[C@@H](C(=O)O)N)N