Sohbumycin

Base Information

• Chemical Name: Sohbumycin
• CAS No.: 99270-01-6
• Molecular Formula: C31H47ClN8O10
• Molecular Weight: 727.20548
• DSSTox Substance ID: DTXSID30244016
• Metabolomics Workbench ID: 108275
• Nikkaji Number: J2.433.401E
• Wikidata: Q77499902
• Mol file: 99270-01-6.mol

Synonyms:sohbumycin

Chemical Property of Sohbumycin

Chemical Property:

• PSA: 249.19000
• LogP: -1.94870
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 5
• Exact Mass: 726.3103674
• Heavy Atom Count: 50
• Complexity: 1370

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C=CC=CCC1C(=O)N2C(CC(CN2)Cl)C(=O)N3C(CC(CN3)O)C(=O)NC(C(=O)OCC(=O)N4C(CC(CN4)O)C(=O)N1)(C)CO
• Isomeric SMILES: CC(C)/C=C/C=C/C[C@H]1C(=O)N2[C@H](C[C@@H](CN2)Cl)C(=O)N3[C@@H](C[C@@H](CN3)O)C(=O)N[C@@](C(=O)OCC(=O)N4[C@H](C[C@H](CN4)O)C(=O)N1)(C)CO