Sirodesmin H

Base Information

• Chemical Name: Sirodesmin H
• CAS No.: 64542-78-5
• Molecular Formula: C20H26 N2 O8 S
• Molecular Weight: 454.494
• DSSTox Substance ID: DTXSID60214808
• Nikkaji Number: J1.032.050J
• Wikidata: Q27108294
• Metabolomics Workbench ID: 69484
• ChEMBL ID: CHEMBL511647
• Mol file: 64542-78-5.mol

Synonyms:epipolythiopiperazine-2,5-dione;sirodesmin;sirodesmin A;sirodesmin B;sirodesmin C;sirodesmin D;sirodesmin E;sirodesmin F;sirodesmin G;sirodesmin H;sirodesmin J;TAN 1496 B;TAN-1496 B

Chemical Property of Sirodesmin H

Chemical Property:

• Boiling Point: 711.2°Cat760mmHg
• Flash Point: 383.9°C
• Density: 1.57g/cm³
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 454.14098697
• Heavy Atom Count: 31
• Complexity: 956

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(=O)C2(O1)CC3C(C2OC(=O)C)(CC45N3C(=O)C(S4)(N(C5=O)C)CO)O)(C)C
• Isomeric SMILES: C[C@@H]1C(C(=O)[C@]2(O1)C[C@@H]3[C@]([C@@H]2OC(=O)C)(C[C@@]45N3C(=O)[C@@](S4)(N(C5=O)C)CO)O)(C)C