Sodium 1-[(3-{[2-(4-azido-2,3,5,6-tetrafluorobenzamido)ethyl]disulfanyl}propanoyl)oxy]-2,5-dioxopyrrolidine-3-sulfonate

Base Information

• Chemical Name: Sodium 1-[(3-{[2-(4-azido-2,3,5,6-tetrafluorobenzamido)ethyl]disulfanyl}propanoyl)oxy]-2,5-dioxopyrrolidine-3-sulfonate
• CAS No.: 220446-74-2
• Molecular Formula: C16H13 F4 N5 O8 S3 . Na
• Molecular Weight: 615.5555928
• DSSTox Substance ID: DTXSID60704411
• Mol file: 220446-74-2.mol

Synonyms:220446-74-2;Sodium 1-[(3-{[2-(4-azido-2,3,5,6-tetrafluorobenzamido)ethyl]disulfanyl}propanoyl)oxy]-2,5-dioxopyrrolidine-3-sulfonate;sodium;1-[3-[2-[(4-azido-2,3,5,6-tetrafluorobenzoyl)amino]ethyldisulfanyl]propanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate;DTXSID60704411;FT-0716620

Chemical Property of Sodium 1-[(3-{[2-(4-azido-2,3,5,6-tetrafluorobenzamido)ethyl]disulfanyl}propanoyl)oxy]-2,5-dioxopyrrolidine-3-sulfonate

Chemical Property:

• PSA: 233.68000
• LogP: 2.35220
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 11
• Exact Mass: 596.96818281
• Heavy Atom Count: 37
• Complexity: 998

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C(=O)N(C1=O)OC(=O)CCSSCCNC(=O)C2=C(C(=C(C(=C2F)F)N=[N+]=[N-])F)F)S(=O)(=O)[O-].[Na+]