6-Cyanouridine 5'-Phosphate

Base Information

• Chemical Name: 6-Cyanouridine 5'-Phosphate
• CAS No.: 68244-52-0
• Molecular Formula: C10H12N3O9P
• Molecular Weight: 349.194
• ChEMBL ID: CHEMBL512577
• DSSTox Substance ID: DTXSID70586583
• Nikkaji Number: J2.252.881E
• Wikidata: Q27456328

Synonyms:6-Cyanouridine 5'-Phosphate;6-Cyanouridine 5'-(dihydrogen phosphate);6-cyano-UMP;C6-Uridine Derivative, 6;6-cyano-uridine monophosphate;6-cyanouridine 5-monophosphate;CHEMBL512577;JMC521648 Compound 34;SCHEMBL1361913;BDBM21335;DTXSID70586583;PD193896;Q27456328;{[(2R,3S,4R,5R)-5-(6-cyano-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid

Chemical Property of 6-Cyanouridine 5'-Phosphate

Chemical Property:

• XLogP3: -4
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 4
• Exact Mass: 349.03111597
• Heavy Atom Count: 23
• Complexity: 649

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(N(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O)C#N
• Isomeric SMILES: C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C#N

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