4,8-diamino-N-[1-amino-3-(carbamoylamino)-1-oxopropan-2-yl]-2,3,5,7,9-pentahydroxynonanamide

Base Information

• Chemical Name: 4,8-diamino-N-[1-amino-3-(carbamoylamino)-1-oxopropan-2-yl]-2,3,5,7,9-pentahydroxynonanamide
• CAS No.: 155547-95-8
• Molecular Formula: C13H28 N6 O8
• Molecular Weight: 396.4
• DSSTox Substance ID: DTXSID901027533
• Nikkaji Number: J2.626.460J
• Wikipedia: Zwittermicin_A
• Wikidata: Q104166903

Synonyms:zwittermicin A

Chemical Property of 4,8-diamino-N-[1-amino-3-(carbamoylamino)-1-oxopropan-2-yl]-2,3,5,7,9-pentahydroxynonanamide

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 952.5°C at 760 mmHg
• PKA: 11.34±0.45(Predicted)
• Flash Point: 529.9°C
• PSA: 280.50000
• Density: 1.542g/cm³
• LogP: -3.31160
• XLogP3: -7.3
• Hydrogen Bond Donor Count: 11
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 12
• Exact Mass: 396.19686187
• Heavy Atom Count: 27
• Complexity: 509

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(C(CO)N)O)C(C(C(C(C(=O)NC(CNC(=O)N)C(=O)N)O)O)N)O

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