Semioxamazide, 5-(beta-hydroxy-alpha-(hydroxymethyl)-p-nitrophenethyl)-1-(p-tolylsulfonyl)-, D-(-)-threo-

Base Information

• Chemical Name: Semioxamazide, 5-(beta-hydroxy-alpha-(hydroxymethyl)-p-nitrophenethyl)-1-(p-tolylsulfonyl)-, D-(-)-threo-
• CAS No.: 60199-24-8
• Molecular Formula: C18H20N4O8S
• Molecular Weight: 452.4384
• DSSTox Substance ID: DTXSID20208940
• Wikidata: Q76150799

Synonyms:60199-24-8;Semioxamazide, 5-(beta-hydroxy-alpha-(hydroxymethyl)-p-nitrophenethyl)-1-(p-tolylsulfonyl)-, D-(-)-threo-;C18-H20-N4-O8-S;C18H20N4O8S;DTXSID20208940;LS-144913

Chemical Property of Semioxamazide, 5-(beta-hydroxy-alpha-(hydroxymethyl)-p-nitrophenethyl)-1-(p-tolylsulfonyl)-, D-(-)-threo-

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.493g/cm³
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 7
• Exact Mass: 452.10018478
• Heavy Atom Count: 31
• Complexity: 735

Purity/Quality:

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• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C(=O)NC(CO)C(C2=CC=C(C=C2)[N+](=O)[O-])O
• Isomeric SMILES: CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C(=O)N[C@H](CO)[C@@H](C2=CC=C(C=C2)[N+](=O)[O-])O

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