Bacilysin

Base Information

• Chemical Name: Bacilysin
• CAS No.: 29393-20-2
• Molecular Formula: C12H18 N2 O5
• Molecular Weight: 270.32
• DSSTox Substance ID: DTXSID70183617
• Nikkaji Number: J19.274K
• Wikidata: Q105327140
• Metabolomics Workbench ID: 66065
• Mol file: 29393-20-2.mol

Synonyms:Ala-(2,3-epoxycyclohexanone-4)-Ala;bacillin;bacilysin;KM 208;KM-208;tetaine

Chemical Property of Bacilysin

Chemical Property:

• Refractive Index: 1.4760 (estimate)
• Boiling Point: 413.4°C (rough estimate)
• PSA: 122.02000
• Density: 1.2232 (rough estimate)
• LogP: 0.13080
• XLogP3: -3.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 270.12157168
• Heavy Atom Count: 19
• Complexity: 411

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Safety Statements: Moderately toxic by intravenous route. Human mutation data reported. When heated to decomposi"> x. An antibiotic." target="_blank">Moderately toxic by intravenous route. Human mutation data reported. When heated to decomposi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)NC(CC1CCC(=O)C2C1O2)C(=O)O)N
• Isomeric SMILES: C[C@@H](C(=O)N[C@@H](C[C@H]1CCC(=O)[C@H]2[C@@H]1O2)C(=O)O)N