Adenosine, N-(4-amino-4-oxobutyl)-

Base Information

• Chemical Name: Adenosine, N-(4-amino-4-oxobutyl)-
• CAS No.: 70608-11-6
• Molecular Formula: C14H20N6O5
• Molecular Weight: 352.34600
• DSSTox Substance ID: DTXSID90430913
• Wikidata: Q82244660

Synonyms:70608-11-6;4-((9-((2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-9H-purin-6-yl)amino)butanamide;Adenosine, N-(4-amino-4-oxobutyl)-;DTXSID90430913;4-({9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-yl}amino)butanamide

Chemical Property of Adenosine, N-(4-amino-4-oxobutyl)-

Chemical Property:

• Boiling Point: 822.0±75.0 °C(Predicted)
• PSA: 169.63000
• Density: 1.81±0.1 g/cm3(Predicted)
• LogP: -0.66210
• XLogP3: -1.2
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 7
• Exact Mass: 352.14951776
• Heavy Atom Count: 25
• Complexity: 471

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)NCCCC(=O)N
• Isomeric SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NCCCC(=O)N

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