Emethallicin D

Base Information

• Chemical Name: Emethallicin D
• CAS No.: 126399-02-8
• Molecular Formula: C34H28N2O8S3
• Molecular Weight: 688.7897
• DSSTox Substance ID: DTXSID00925527
• Wikidata: Q82899876
• Mol file: 126399-02-8.mol

Synonyms:emethallicin D

Chemical Property of Emethallicin D

Chemical Property:

• Refractive Index: 1.78
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 198.58000
• Density: 1.61g/cm³
• LogP: 4.23730
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 8
• Exact Mass: 688.10077938
• Heavy Atom Count: 47
• Complexity: 1470

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2=CC=CC(C2N3C14C(=O)N5C6C(C=COC=C6CC5(C3=O)SSS4)OC(=O)C(C7=CC=CC=C7)O)OC(=O)CC8=CC=CC=C8
• Isomeric SMILES: C1C2=CC=CC(C2N3C14C(=O)N5[C@@H]6[C@H](C=COC=C6CC5(C3=O)SSS4)OC(=O)[C@@H](C7=CC=CC=C7)O)OC(=O)CC8=CC=CC=C8