2-Amino-2-(hydroxymethyl)propane-1,3-diol;5-hexyl-7-(methylsulfonimidoyl)-9-oxoxanthene-2-carboxylic acid

Base Information

• Chemical Name: 2-Amino-2-(hydroxymethyl)propane-1,3-diol;5-hexyl-7-(methylsulfonimidoyl)-9-oxoxanthene-2-carboxylic acid
• CAS No.: 66934-53-0
• Molecular Formula: C25H34N2O8S
• Molecular Weight: 522.6111
• UNII: JBT8K7F1EG
• DSSTox Substance ID: DTXSID10985612
• ChEMBL ID: CHEMBL1627190

Synonyms:7-(S-methylsulfonimidoyl)-5-(n-hexyl)-xanthen- 9-one-2-carboxylic acid, tris(hydroxymethyl) aminomethane salt;RU 31156;RU-31156

Chemical Property of 2-Amino-2-(hydroxymethyl)propane-1,3-diol;5-hexyl-7-(methylsulfonimidoyl)-9-oxoxanthene-2-carboxylic acid

Chemical Property:

• Vapor Pressure: 1.08E-15mmHg at 25°C
• Boiling Point: 609.2°Cat760mmHg
• Flash Point: 322.2°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 10
• Exact Mass: 522.20358722
• Heavy Atom Count: 36
• Complexity: 755

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC1=C2C(=CC(=C1)S(=N)(=O)C)C(=O)C3=C(O2)C=CC(=C3)C(=O)O.C(C(CO)(CO)N)O

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