CID 124141

Base Information

• Chemical Name: CID 124141
• CAS No.: 102622-96-8
• Molecular Formula: C34H36 N4 O9
• Molecular Weight: 644.671
• Wikidata: Q105308892
• Metabolomics Workbench ID: 100844
• Mol file: 102622-96-8.mol

Synonyms:AT 2433-B1;AT2433-B1;iso-AT2433-B1

Chemical Property of CID 124141

Chemical Property:

• Vapor Pressure: 3.77E-34mmHg at 25°C
• Boiling Point: 891.8°Cat760mmHg
• Flash Point: 493.1°C
• Density: 1.64g/cm³
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 6
• Exact Mass: 644.24822874
• Heavy Atom Count: 47
• Complexity: 1200

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CNC1COC(CC1O)OCC2C(C(C(C(O2)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8NC7=C53)C(=O)N(C6=O)C)O)O)OC
• Isomeric SMILES: CN[C@H]1CO[C@H](C[C@@H]1O)OC[C@@H]2[C@H]([C@@H]([C@H](C(O2)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8NC7=C53)C(=O)N(C6=O)C)O)O)OC