Thiopurinol ribonucleoside monophosphate

Base Information

• Chemical Name: Thiopurinol ribonucleoside monophosphate
• CAS No.: 81944-82-3
• Molecular Formula: C10H13N4O7PS
• Molecular Weight: 364.2716
• DSSTox Substance ID: DTXSID40231477
• Wikidata: Q83112423
• Mol file: 81944-82-3.mol

Synonyms:thiopurinol ribonucleoside monophosphate;TPPR-MP

Chemical Property of Thiopurinol ribonucleoside monophosphate

Chemical Property:

• Vapor Pressure: 5.01E-30mmHg at 25°C
• Boiling Point: 840.9°Cat760mmHg
• Flash Point: 462.4°C
• PSA: 204.85000
• Density: 2.25g/cm³
• LogP: -0.78260
• XLogP3: -2.9
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 364.02425694
• Heavy Atom Count: 23
• Complexity: 559

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NC2=C(N1)C(=S)N=CN2C3C(C(C(O3)COP(=O)(O)O)O)O
• Isomeric SMILES: C1=NC2=C(N1)C(=S)N=CN2[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O

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