Sibiromycin

Base Information

• Chemical Name: Sibiromycin
• CAS No.: 12684-33-2
• Molecular Formula: C24H33 N3 O7
• Molecular Weight: 473.53
• DSSTox Substance ID: DTXSID101318295
• Wikidata: Q27162933
• Metabolomics Workbench ID: 117500
• ChEMBL ID: CHEMBL462584
• Mol file: 12684-33-2.mol

Synonyms:sibiromycin

Chemical Property of Sibiromycin

Chemical Property:

• Vapor Pressure: 5.32E-24mmHg at 25°C
• Melting Point: >119.85°C (rough estimate)
• Refractive Index: 1.6500 (estimate)
• Boiling Point: 755.7°C at 760 mmHg
• PKA: 9.30±0.60(Predicted)
• Flash Point: 410.8°C
• PSA: 145.44000
• Density: 1.41g/cm³
• LogP: 1.99250
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 475.23185040
• Heavy Atom Count: 34
• Complexity: 837

Purity/Quality:

99% ^*data from raw suppliers

SIBIROMYCIN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=CC1=CN2C(C1)C(NC3=C(C(=C(C=C3C2=O)OC4C(C(C(C(O4)C)NC)(C)O)O)C)O)O
• Isomeric SMILES: C/C=C/C1=CN2[C@@H](C1)[C@H](NC3=C(C(=C(C=C3C2=O)O[C@H]4[C@@H]([C@]([C@H]([C@@H](O4)C)NC)(C)O)O)C)O)O