Dehydromerodesmosine

Base Information

• Chemical Name: Dehydromerodesmosine
• CAS No.: 51299-87-7
• Molecular Formula: C18H32N4O6
• Molecular Weight: 400.4699
• Mol file: 51299-87-7.mol

Synonyms:5-Undecenedioic acid, 2,10-diamino-5-(((5-amino-5-carboxypentyl)imino)methyl)-, (2S-(2S*,5(S*),10S*))-;dehydromerodesmosine

Chemical Property of Dehydromerodesmosine

Chemical Property:

• Vapor Pressure: 1.13E-21mmHg at 25°C
• Boiling Point: 703.7°Cat760mmHg
• Flash Point: 379.4°C
• Density: 1.33g/cm³
• XLogP3: -7.8
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 16
• Exact Mass: 400.23218475
• Heavy Atom Count: 28
• Complexity: 564

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCN=CC(=CCCCC(C(=O)O)N)CCC(C(=O)O)N)CC(C(=O)O)N
• Isomeric SMILES: C(CCN=C/C(=C\CCC[C@@H](C(=O)O)N)/CC[C@@H](C(=O)O)N)C[C@@H](C(=O)O)N