Dexylosylbenanomicin A

Base Information

• Chemical Name: Dexylosylbenanomicin A
• CAS No.: 133806-62-9
• Molecular Formula: C34H33 N O15
• Molecular Weight: 695.62
• DSSTox Substance ID: DTXSID50158383
• Nikkaji Number: J436.944K
• Wikidata: Q76309319
• Metabolomics Workbench ID: 143919
• Mol file: 133806-62-9.mol

Synonyms:desxylosyl-benanomicin A;dexylosylbenanomicin A

Chemical Property of Dexylosylbenanomicin A

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1020.1°Cat760mmHg
• Flash Point: 570.7°C
• PSA: 273.33000
• Density: 1.72g/cm³
• LogP: 1.27270
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 6
• Exact Mass: 695.18501935
• Heavy Atom Count: 50
• Complexity: 1330

Purity/Quality:

DEXYLOSYLBENANOMICIN A 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OC2C(C3=CC4=C(C(=C3C5=C2C=C(C(=C5O)C(=O)NC(C)C(=O)O)C)O)C(=O)C6=C(C4=O)C(=CC(=C6)OC)O)O)O)O)O
• Isomeric SMILES: C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](C3=CC4=C(C(=C3C5=C2C=C(C(=C5O)C(=O)N[C@H](C)C(=O)O)C)O)C(=O)C6=C(C4=O)C(=CC(=C6)OC)O)O)O)O)O