Napsamycin D

Base Information

• Chemical Name: Napsamycin D
• CAS No.: 144379-27-1
• Molecular Formula: C40H52 N8 O12 S
• Molecular Weight: 868.95
• Metabolomics Workbench ID: 106507
• Mol file: 144379-27-1.mol

Synonyms:napsamycin D

Chemical Property of Napsamycin D

Chemical Property:

• PSA: 327.56000
• Density: 1.427g/cm³
• LogP: 2.94690
• XLogP3: -2.3
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 16
• Exact Mass: 868.34254030
• Heavy Atom Count: 61
• Complexity: 1660

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C2=C(CC(N1)C(=O)N(C)C(C)C(C(=O)NC=C3CC(C(O3)N4CCC(=O)NC4=O)O)NC(=O)C(CCSC)NC(=O)NC(CC5=CC(=CC=C5)O)C(=O)O)C=C(C=C2)O
• Isomeric SMILES: CC1C2=C(CC(N1)C(=O)N(C)C(C)C(C(=O)N/C=C\3/CC(C(O3)N4CCC(=O)NC4=O)O)NC(=O)C(CCSC)NC(=O)NC(CC5=CC(=CC=C5)O)C(=O)O)C=C(C=C2)O