2',3'-Dideoxy-2',3'-didehydroribavirin 5'-triphosphate

Base Information

• Chemical Name: 2',3'-Dideoxy-2',3'-didehydroribavirin 5'-triphosphate
• CAS No.: 601484-85-9
• Molecular Formula: C8H13N4O12P3
• Molecular Weight: 450.1297
• DSSTox Substance ID: DTXSID50349259
• Wikidata: Q82124340

Synonyms:601484-85-9;AC1LD8H8;2',3'-Dideoxy-2',3'-didehydroribavirin 5'-triphosphate;DTXSID50349259;triphosphoric acid, mono[[(2S,5R)-5-[3-(aminocarbonyl)-1H-1,2,4-triazol-1-yl]-2,5-dihydro-2-furanyl]methyl] ester;Triphosphoric acid, P-[[(2S,5R)-5-[3-(aminocarbonyl)-1H-1,2,4-triazol-1-yl]-2,5-dihydro-2-furanyl]methyl] ester (9CI)

Chemical Property of 2',3'-Dideoxy-2',3'-didehydroribavirin 5'-triphosphate

Chemical Property:

• Vapor Pressure: 1.62E-28mmHg at 25°C
• Boiling Point: 820.9°Cat760mmHg
• Flash Point: 450.3°C
• Density: 2.4g/cm³
• XLogP3: -4.4
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 9
• Exact Mass: 449.97428286
• Heavy Atom Count: 27
• Complexity: 740

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(OC1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=NC(=N2)C(=O)N
• Isomeric SMILES: C1=C[C@@H](O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=NC(=N2)C(=O)N

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