1-(4-Nitrophenoxy)-3-(S-glutathionyl)-2-propanol

Base Information

• Chemical Name: 1-(4-Nitrophenoxy)-3-(S-glutathionyl)-2-propanol
• CAS No.: 67881-51-0
• Molecular Formula: C19H26N4O10S
• Molecular Weight: 502.4955
• DSSTox Substance ID: DTXSID40987245
• Wikidata: Q27159604
• Mol file: 67881-51-0.mol

Synonyms:1-(4-nitrophenoxy)-3-(S-glutathionyl)-2-propanol;1-NPGP

Chemical Property of 1-(4-Nitrophenoxy)-3-(S-glutathionyl)-2-propanol

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 976.5°Cat760mmHg
• PKA: 2.21±0.10(Predicted)
• Flash Point: 544.4°C
• PSA: 266.38000
• Density: 1.474g/cm³
• LogP: 1.84950
• XLogP3: -3.3
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 15
• Exact Mass: 502.13696421
• Heavy Atom Count: 34
• Complexity: 712

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1[N+](=O)[O-])OCC(CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)O
• Isomeric SMILES: C1=CC(=CC=C1[N+](=O)[O-])OCC(CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O