S-(2-Hydroxy-3-buten-1-yl)glutathione

Base Information

• Chemical Name: S-(2-Hydroxy-3-buten-1-yl)glutathione
• CAS No.: 133872-48-7
• Molecular Formula: C14H23 N3 O7 S
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID40928299
• Nikkaji Number: J449.784H
• Mol file: 133872-48-7.mol

Synonyms:2-HBG;S-(2-hydroxy-3-buten-1-yl)glutathione

Chemical Property of S-(2-Hydroxy-3-buten-1-yl)glutathione

Chemical Property:

• Vapor Pressure: 1.14E-31mmHg at 25°C
• Boiling Point: 826.4°Cat760mmHg
• Flash Point: 453.6°C
• PSA: 211.33000
• Density: 1.386g/cm³
• LogP: 0.52510
• XLogP3: -4.1
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 13
• Exact Mass: 377.12567125
• Heavy Atom Count: 25
• Complexity: 501

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CC(CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)O
• Isomeric SMILES: C=CC(CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O