CID 6438860

Base Information

• Chemical Name: CID 6438860
• CAS No.: 100045-73-6
• Molecular Formula: C46H64 N4 O13
• Molecular Weight: 881.01936
• Nikkaji Number: J358.693F
• Mol file: 100045-73-6.mol

Synonyms:ulapualide A

Chemical Property of CID 6438860

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 997°Cat760mmHg
• Flash Point: 556.8°C
• PSA: 223.83000
• Density: 1.23g/cm³
• LogP: 7.78060
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 15
• Exact Mass: 880.44698811
• Heavy Atom Count: 63
• Complexity: 1530

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC(=O)CCCC(CC(=O)OC(C(C(CC=CC2=NC(=CO2)C3=NC(=CO3)C4=NC1=CO4)OC)C)CC(C(C)CCC(=O)C(C)C(C(C)C=CN(C)C=O)OC(=O)C)OC)O
• Isomeric SMILES: C[C@H]1CC(=O)CCC[C@H](CC(=O)O[C@@H]([C@H]([C@@H](C/C=C\C2=NC(=CO2)C3=NC(=CO3)C4=NC1=CO4)OC)C)C[C@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H]([C@H](C)/C=C/N(C)C=O)OC(=O)C)OC)O