Antibiotic OA 6129A

Base Information

• Chemical Name: Antibiotic OA 6129A
• CAS No.: 82475-11-4
• Molecular Formula: C20H31N3O7S
• Molecular Weight: 457.541
• DSSTox Substance ID: DTXSID701002709
• Wikidata: Q82996952
• Mol file: 82475-11-4.mol

Synonyms:1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 3-((2-((3-((2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino)-1-oxopropyl)amino)ethyl)thio)-6-ethyl-7-oxo-, (5R-(3(R*),5alpha,6beta))-;antibiotic OA 619A;OA 6129A;OA-6129A

Chemical Property of Antibiotic OA 6129A

Chemical Property:

• Vapor Pressure: 3.57E-32mmHg at 25°C
• Boiling Point: 832.6°Cat760mmHg
• Flash Point: 457.4°C
• Density: 1.38g/cm³
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 12
• Exact Mass: 457.18827151
• Heavy Atom Count: 31
• Complexity: 768

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1C2CC(=C(N2C1=O)C(=O)O)SCCNC(=O)CCNC(=O)C(C(C)(C)CO)O
• Isomeric SMILES: CC[C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO)O