4-[[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]benzoic acid

Base Information

• Chemical Name: 4-[[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]benzoic acid
• CAS No.: 72150-99-3
• Molecular Formula: C13H17NO7
• Molecular Weight: 299.28
• DSSTox Substance ID: DTXSID40992874
• Mol file: 72150-99-3.mol

Synonyms:4-aminobenzoic acid-N-mannoside;4-aminobenzoic acid-N-mannoside mono-Na salt(alpha-D)-isomer;4-aminobenzoic acid-N-mannoside, mono-Na salt(D-isomer)

Chemical Property of 4-[[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]benzoic acid

Chemical Property:

• Vapor Pressure: 1.55E-16mmHg at 25°C
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 299.10050188
• Heavy Atom Count: 21
• Complexity: 358

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)O)NC2C(C(C(C(O2)CO)O)O)O
• Isomeric SMILES: C1=CC(=CC=C1C(=O)O)NC2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O