N-Bromoacetylglucopyranosylamine

Base Information

• Chemical Name: N-Bromoacetylglucopyranosylamine
• CAS No.: 59204-05-6
• Molecular Formula: C8H14 Br N O6
• Molecular Weight: 300.1
• DSSTox Substance ID: DTXSID30207944
• Nikkaji Number: J529.764H
• Wikidata: Q83081971
• ChEMBL ID: CHEMBL131960
• Mol file: 59204-05-6.mol

Synonyms:N-BrAc-Glc-NH2;N-bromoacetyl-beta-D-glucopyranosylamine;N-bromoacetylglucopyranosylamine

Chemical Property of N-Bromoacetylglucopyranosylamine

Chemical Property:

• Vapor Pressure: 1.35E-16mmHg at 25°C
• Boiling Point: 594.2°C at 760 mmHg
• Flash Point: 313.2°C
• PSA: 122.74000
• Density: 1.87g/cm³
• LogP: -1.86230
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 299.00045
• Heavy Atom Count: 16
• Complexity: 253

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C1C(C(C(C(O1)NC(=O)CBr)O)O)O)O
• Isomeric SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)NC(=O)CBr)O)O)O)O