2-(m-Nitrophenyl)adenosine

Base Information

• Chemical Name: 2-(m-Nitrophenyl)adenosine
• CAS No.: 109875-47-0
• Molecular Formula: C16H16 N6 O6
• Molecular Weight: 0
• UNII: 39890S3IGM
• DSSTox Substance ID: DTXSID60149065
• Wikidata: Q27256875
• Mol file: 109875-47-0.mol

Synonyms:2-(m-Nitrophenyl)adenosine;109875-47-0;39890S3IGM;(2R,3R,4S,5R)-2-[6-amino-2-(3-nitrophenyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;2-(META-NITROPHENYL)-ADENOSINE;(2R,3R,4S,5R)-2-(6-Amino-2-(3-nitrophenyl)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol;CCRIS 5297;UNII-39890S3IGM;(2R,3R,4S,5R)-2-(6-AMINO-2-(3-NITROPHENYL)PURIN-9-YL)-5-(HYDROXYMETHYL)OXOLANE-3,4-DIOL;Adenosine, 2-(3-nitrophenyl)-;DTXSID60149065;2-(3-NITROPHENYL)ADENOSINE;Q27256875;(2R,3R,4S,5R)-2-[6-amino-2-(3-nitrophenyl)-9H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Chemical Property of 2-(m-Nitrophenyl)adenosine

Chemical Property:

• Vapor Pressure: 1.02E-16mmHg at 25°C
• Boiling Point: 629.6°Cat760mmHg
• Flash Point: 334.6°C
• PSA: 185.36000
• Density: 1.92g/cm³
• LogP: 0.69960
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 3
• Exact Mass: 388.11313225
• Heavy Atom Count: 28
• Complexity: 580

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C2=NC(=C3C(=N2)N(C=N3)C4C(C(C(O4)CO)O)O)N
• Isomeric SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C2=NC(=C3C(=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N