Antibiotic X-536A

Base Information

• Chemical Name: Antibiotic X-536A
• CAS No.: 11054-70-9
• Molecular Formula: C34H54O8
• Molecular Weight: 602.89
• NSC Number: 177406
• DSSTox Substance ID: DTXSID30860356
• Wikidata: Q104922873
• ChEMBL ID: CHEMBL96040
• Mol file: 11054-70-9.mol

Synonyms:Bovatec R;ANTIBIOTIC X-536A;Antibiotic X 537;11054-70-9;NSC177406;6-[7-[5-ethyl-5-(5-ethyl-5-hydroxy-6-methyloxan-2-yl)-3-methyloxolan-2-yl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxy-3-methylbenzoic acid;1,4:5,9-dianhydro-1-[9-(2-carboxy-3-hydroxy-4-methylphenyl)-6-hydroxy-5,7-dimethyl-4-oxononan-3-yl]-2,3,6,7-tetradeoxy-4-ethyl-8-c-ethyl-2,9-dimethylnonitol;CHEMBL96040;SCHEMBL10817445;DTXSID30860356;NSC-177406;LS-55460;NCI60_001946

Chemical Property of Antibiotic X-536A

Chemical Property:

• Refractive Index: 1.5290 (estimate)
• Boiling Point: 735.7°Cat760mmHg
• Flash Point: 224.8°C
• PSA: 133.52000
• Density: 1.119g/cm³
• LogP: 5.84220
• XLogP3: 6.4
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 13
• Exact Mass: 590.38186868
• Heavy Atom Count: 42
• Complexity: 910

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C1C(CC(O1)(CC)C2CCC(C(O2)C)(CC)O)C)C(=O)C(C)C(C(C)CCC3=C(C(=C(C=C3)C)O)C(=O)O)O