2'-Deoxy-5'-o-thiophosphonocytidine

Base Information

• Chemical Name: 2'-Deoxy-5'-o-thiophosphonocytidine
• CAS No.: 115401-96-2
• Molecular Formula: C9H14N3O6PS
• Molecular Weight: 323.262721
• DSSTox Substance ID: DTXSID90921730
• Nikkaji Number: J1.063.259E
• Wikidata: Q27458687
• Mol file: 115401-96-2.mol

Synonyms:S(dC)28;Sd(C)28;SdC28

Chemical Property of 2'-Deoxy-5'-o-thiophosphonocytidine

Chemical Property:

• Vapor Pressure: 2.09E-18mmHg at 25°C
• Boiling Point: 628°Cat760mmHg
• Flash Point: 333.6°C
• Density: 1.97g/cm³
• XLogP3: -1.7
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 323.03409335
• Heavy Atom Count: 20
• Complexity: 506

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C(C(OC1N2C=CC(=NC2=O)N)COP(=S)(O)O)O
• Isomeric SMILES: C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=S)(O)O)O