1,4:3,6-Dianhydro-2-deoxy-2-(6-(dimethylamino)-9H-purin-9-yl)-L-iditol 5-nitrate

Base Information

• Chemical Name: 1,4:3,6-Dianhydro-2-deoxy-2-(6-(dimethylamino)-9H-purin-9-yl)-L-iditol 5-nitrate
• CAS No.: 81621-16-1
• Molecular Formula: C13H16N6O5
• Molecular Weight: 336.3033
• DSSTox Substance ID: DTXSID501002096
• Wikidata: Q76156459

Synonyms:1,4:3,6-Dianhydro-2-deoxy-2-(6-(dimethylamino)-9H-purin-9-yl)-L-iditol 5-nitrate;5-(6-Dimethylaminopurin-9-yl)-5-desoxy-1.4;3.6-dianhydro-L-iditol 2-nitrate;L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(6-(dimethylamino)-9H-purin-9-yl)-, 5-nitrate;81621-16-1;DTXSID501002096;LS-77610;1,4:3,6-Dianhydro-2-deoxy-2-[6-(dimethylamino)-9H-purin-9-yl]-5-O-nitrohexitol

Chemical Property of 1,4:3,6-Dianhydro-2-deoxy-2-(6-(dimethylamino)-9H-purin-9-yl)-L-iditol 5-nitrate

Chemical Property:

• Vapor Pressure: 1.7E-12mmHg at 25°C
• Boiling Point: 558.2°Cat760mmHg
• Flash Point: 291.4°C
• Density: 1.8g/cm³
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 336.11821763
• Heavy Atom Count: 24
• Complexity: 490

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C1=NC=NC2=C1N=CN2C3COC4C3OCC4O[N+](=O)[O-]
• Isomeric SMILES: CN(C)C1=NC=NC2=C1N=CN2[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4O[N+](=O)[O-]

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