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

Base Information

• Chemical Name: (2R,3R,4S,5R)-2-amino-3,5,6-trihydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal
• CAS No.: 100787-31-3
• Molecular Formula: C12H23NO10
• Molecular Weight: 341.31172
• Nikkaji Number: J3.042.058F
• Wikidata: Q76010093
• Mol file: 100787-31-3.mol

Synonyms:lactosamine

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

Chemical Property:

• Vapor Pressure: 3.58E-27mmHg at 25°C
• Boiling Point: 767.2°Cat760mmHg
• Flash Point: 417.8°C
• Density: 1.63g/cm³
• XLogP3: -5.3
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 8
• Exact Mass: 341.13219593
• Heavy Atom Count: 23
• Complexity: 372

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C(C1C(C(C(C(O1)OC(C(CO)O)C(C(C=O)N)O)O)O)O)O
• Isomeric SMILES: C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)N)O)O)O)O)O