Ribavirin 5'-diphosphate

Base Information

• Chemical Name: Ribavirin 5'-diphosphate
• CAS No.: 63142-70-1
• Molecular Formula: C8H14 N4 O11 P2
• Molecular Weight: 404.16
• DSSTox Substance ID: DTXSID00212489
• Nikkaji Number: J1.910.971B
• Wikidata: Q83087631
• ChEMBL ID: CHEMBL3306225
• Mol file: 63142-70-1.mol

Synonyms:ribavirin 5'-diphosphate;ribavirin 5'-diphosphate, dilithium salt;ribavirin-DP

Chemical Property of Ribavirin 5'-diphosphate

Chemical Property:

• Vapor Pressure: 1.26E-30mmHg at 25°C
• Melting Point: 140-143°C
• Boiling Point: 848.6°C at 760 mmHg
• PKA: 1.39±0.10(Predicted)
• Flash Point: 467°C
• PSA: 256.40000
• Density: 2.52g/cm³
• LogP: -2.07720
• Solubility.: Water
• XLogP3: -4.6
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 7
• Exact Mass: 404.01343127
• Heavy Atom Count: 25
• Complexity: 601

Purity/Quality:

97% ^*data from raw suppliers

Ribavirin5?-diphosphatelithiumsalt ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NC(=NN1C2C(C(C(O2)COP(=O)(O)OP(=O)(O)O)O)O)C(=O)N
• Isomeric SMILES: C1=NC(=NN1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O)O)O)C(=O)N