Spergualin

Base Information

• Chemical Name: Spergualin
• CAS No.: 80902-43-8
• Molecular Formula: C17H37N7O4
• Molecular Weight: 403.524
• UNII: 71O2A541CU
• ChEMBL ID: CHEMBL3753954
• Metabolomics Workbench ID: 78632
• Nikkaji Number: J209.338C
• Wikidata: Q27149734
• Mol file: 80902-43-8.mol

Synonyms:1-amino-19-guanidino-11,15-dihydroxy-4,9,12-triazanonadecane-10,13-dione;spergualin

Chemical Property of Spergualin

Chemical Property:

• PSA: 194.59000
• Density: 1.28g/cm³
• LogP: 2.23610
• XLogP3: -3.1
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 17
• Exact Mass: 403.29070269
• Heavy Atom Count: 28
• Complexity: 459

Purity/Quality:

SPERGUALIN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(CCN=C(N)N)CC(CC(=O)NC(C(=O)NCCCCNCCCN)O)O
• Isomeric SMILES: C(CCN=C(N)N)C[C@@H](CC(=O)N[C@H](C(=O)NCCCCNCCCN)O)O