Diastovaricins II

Base Information

• Chemical Name: Diastovaricins II
• CAS No.: 102228-99-9
• Molecular Formula: C44H52 N2 O12 S
• Molecular Weight: 832.96
• Wikidata: Q105284528
• Metabolomics Workbench ID: 98020
• Mol file: 102228-99-9.mol

Synonyms:diastovaricin II;diastovaricins II

Chemical Property of Diastovaricins II

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1136.4°Cat760mmHg
• Flash Point: 641.1°C
• PSA: 270.00000
• Density: 1.35g/cm³
• LogP: 5.10360
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 5
• Exact Mass: 832.32409627
• Heavy Atom Count: 59
• Complexity: 1860

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C=CC=CC=CC(=O)NC2=C(C(=O)C3=C(C2=O)C=C(C(=C3C(=O)C(=CC(C(C(C=CC(CC=C(C(=O)CC1O)C)O)C)O)C)C)O)C)SCC(C(=O)O)NC(=O)C
• Isomeric SMILES: C[C@H]1/C=C/C=C\C=C\C(=O)NC2=C(C(=O)C3=C(C2=O)C=C(C(=C3C(=O)/C(=C\[C@@H]([C@H]([C@H](/C=C/[C@H](C/C=C(/C(=O)C[C@@H]1O)\C)O)C)O)C)/C)O)C)SC[C@@H](C(=O)O)NC(=O)C