N(6)-(3-Iodo-4-azidobenzyl)adenosine

Base Information

• Chemical Name: N(6)-(3-Iodo-4-azidobenzyl)adenosine
• CAS No.: 98849-99-1
• Molecular Formula: C17H17IN8O4
• Molecular Weight: 524.2725
• DSSTox Substance ID: DTXSID40913049
• Mol file: 98849-99-1.mol

Synonyms:IAB-adenosine;N(6)-(3-iodo-4-azidobenzyl)adenosine

Chemical Property of N(6)-(3-Iodo-4-azidobenzyl)adenosine

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 175.30000
• Density: g/cm³
• LogP: 1.12206
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 6
• Exact Mass: 524.04175
• Heavy Atom Count: 30
• Complexity: 643

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C=C1CNC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)CO)O)O)I)N=[N+]=[N-]
• Isomeric SMILES: C1=CC(=C(C=C1CNC2=C3C(=NC=N2)N(C=N3)C4[C@@H]([C@@H]([C@H](O4)CO)O)O)I)N=[N+]=[N-]