14-Debromoprearaplysillin I

Base Information

• Chemical Name: 14-Debromoprearaplysillin I
• CAS No.: 136685-30-8
• Molecular Formula: C21H24 Br3 N3 O4
• Molecular Weight: 622.15
• Metabolomics Workbench ID: 171704
• ChEMBL ID: CHEMBL521628
• Mol file: 136685-30-8.mol

Synonyms:14-debromoprearaplysillin I

Chemical Property of 14-Debromoprearaplysillin I

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 109.66000
• Density: 1.7g/cm³
• LogP: 5.98250
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 11
• Exact Mass: 620.92964
• Heavy Atom Count: 31
• Complexity: 572

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1Br)CC(=NO)C(=O)NCCCOC2=C(C=C(C=C2)CCN)Br)Br
• Isomeric SMILES: COC1=C(C=C(C=C1Br)C/C(=N\O)/C(=O)NCCCOC2=C(C=C(C=C2)CCN)Br)Br