N-O-Nitrophenylsulfenyl-L-threonine DI(cyclohexyl)ammonium salt

Base Information

• Chemical Name: N-O-Nitrophenylsulfenyl-L-threonine DI(cyclohexyl)ammonium salt
• CAS No.: 14921-33-6
• Molecular Formula: C22H35N3O5S
• Molecular Weight: 453.6
• DSSTox Substance ID: DTXSID30585234
• Mol file: 14921-33-6.mol

Synonyms:14921-33-6;N-O-NITROPHENYLSULFENYL-L-THREONINE DI(CYCLOHEXYL)AMMONIUM SALT;o-NPS-L-Threonine dicyclohexylamino salt;N-cyclohexylcyclohexanamine;(2S,3R)-3-hydroxy-2-[(2-nitrophenyl)sulfanylamino]butanoic acid;DTXSID30585234;CS-0201888;Dicyclohexylamine ((2-nitrophenyl)thio)-L-threoninate;dicyclohexylamine (2S,3R)-3-hydroxy-2-(2-nitrophenylthioamino)butanoate;N-[(2-Nitrophenyl)sulfanyl]-L-threonine--N-cyclohexylcyclohexanamine (1/1);N-(2-Nitrophenylsulfenyl)-L-threonine (dicyclohexylammonium) salt, crystalline

Chemical Property of N-O-Nitrophenylsulfenyl-L-threonine DI(cyclohexyl)ammonium salt

Chemical Property:

• PSA: 152.71000
• LogP: 5.57190
• Storage Temp.: −20°C
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 453.22974240
• Heavy Atom Count: 31
• Complexity: 425

Purity/Quality:

98%min ^*data from raw suppliers

O-NPS-L-THREONINE DICYCLOHEXYLAMINO SALT 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(C(=O)O)NSC1=CC=CC=C1[N+](=O)[O-])O.C1CCC(CC1)NC2CCCCC2
• Isomeric SMILES: C[C@H]([C@@H](C(=O)O)NSC1=CC=CC=C1[N+](=O)[O-])O.C1CCC(CC1)NC2CCCCC2