(9E,13Z,15E)-4',11-dihydroxy-2,4',9-trimethylspiro[19-thia-3,20-diazabicyclo[15.2.1]icosa-1(20),9,13,15,17-pentaene-6,5'-dithiolane]-3',4,12-trione

Base Information

• Chemical Name: (9E,13Z,15E)-4',11-dihydroxy-2,4',9-trimethylspiro[19-thia-3,20-diazabicyclo[15.2.1]icosa-1(20),9,13,15,17-pentaene-6,5'-dithiolane]-3',4,12-trione
• CAS No.: 127183-14-6
• Molecular Formula: C₂₂H₂₆N₂O₅S₃
• Molecular Weight: 494.657
• Mol file: 127183-14-6.mol

Synonyms:S-deoxyleinamycin

Chemical Property of (9E,13Z,15E)-4',11-dihydroxy-2,4',9-trimethylspiro[19-thia-3,20-diazabicyclo[15.2.1]icosa-1(20),9,13,15,17-pentaene-6,5'-dithiolane]-3',4,12-trione

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 0
• Exact Mass: 494.10038545
• Heavy Atom Count: 32
• Complexity: 861

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C2=NC(=CS2)C=CC=CC(=O)C(C=C(CCC3(CC(=O)N1)C(C(=O)SS3)(C)O)C)O
• Isomeric SMILES: CC1C2=NC(=CS2)/C=C/C=C\C(=O)C(/C=C(/CCC3(CC(=O)N1)C(C(=O)SS3)(C)O)\C)O