N-[(2R,3R,4S,5R)-5-acetamido-2,4-dihydroxy-6-oxohexan-3-yl]-3-hydroxybutanamide

Base Information

• Chemical Name: N-[(2R,3R,4S,5R)-5-acetamido-2,4-dihydroxy-6-oxohexan-3-yl]-3-hydroxybutanamide
• CAS No.: 134864-89-4
• Molecular Formula: C12H22 N2 O6
• Molecular Weight: 290.31
• DSSTox Substance ID: DTXSID50928785
• Mol file: 134864-89-4.mol

Synonyms:2(N)-acetyl-4-N-(3-hydroxybutanoyl)-2,4,6-trideoxy-D-glucose;2-N-acetyl-4-N-(3-hydroxybutanoyl)-2,4,6-trideoxyglucose;2-NHBTG

Chemical Property of N-[(2R,3R,4S,5R)-5-acetamido-2,4-dihydroxy-6-oxohexan-3-yl]-3-hydroxybutanamide

Chemical Property:

• Vapor Pressure: 2.45E-22mmHg at 25°C
• Boiling Point: 694.9°Cat760mmHg
• Flash Point: 374.1°C
• PSA: 142.94000
• Density: 1.261g/cm³
• LogP: -0.63200
• XLogP3: -2.7
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 290.14778643
• Heavy Atom Count: 20
• Complexity: 349

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC(=O)NC(C(C)O)C(C(C=O)NC(=O)C)O)O
• Isomeric SMILES: C[C@H]([C@H]([C@@H]([C@H](C=O)NC(=O)C)O)NC(=O)CC(C)O)O