9-(4-Azido-2-nitrophenyl)-5-acetamido-2,6-anhydro-2,3,5,9-tetradeoxy-9-thioglycerogalactonon-2-enoic acid

Base Information

• Chemical Name: 9-(4-Azido-2-nitrophenyl)-5-acetamido-2,6-anhydro-2,3,5,9-tetradeoxy-9-thioglycerogalactonon-2-enoic acid
• CAS No.: 132406-95-2
• Molecular Formula: C17H17 N5 O9 S T2
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID40157527
• Wikidata: Q83025679
• Mol file: 132406-95-2.mol

Synonyms:9-(4-azido-2-nitrophenyl)-5-acetamido-2,6-anhydro-2,3,5,9-tetradeoxy-9-thioglycerogalactonon-2-enoic acid;9-PANP-Neu5Ac2en;9-S-(4-azido-3,5-3H-2-nitrophenyl)-5-acetamido-2,6-anhydro-2,3,5,9-tetradeoxy-9-thio-D-glycero-D-galacto-non-2-enoic acid

Chemical Property of 9-(4-Azido-2-nitrophenyl)-5-acetamido-2,6-anhydro-2,3,5,9-tetradeoxy-9-thioglycerogalactonon-2-enoic acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 260.68000
• Density: g/cm³
• LogP: 1.39966
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 8
• Exact Mass: 473.10679687
• Heavy Atom Count: 32
• Complexity: 800

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1C(C=C(OC1C(C(CSC2=C(C=C(C=C2)N=[N+]=[N-])[N+](=O)[O-])O)O)C(=O)O)O
• Isomeric SMILES: [3H]C1=CC(=C(C(=C1N=[N+]=[N-])[3H])[N+](=O)[O-])SC[C@H]([C@H]([C@H]2[C@@H]([C@H](C=C(O2)C(=O)O)O)NC(=O)C)O)O