[(2R,3S,4R,5R)-5-(2,4-dioxo-3-phenacylpyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate

Base Information

• Chemical Name: [(2R,3S,4R,5R)-5-(2,4-dioxo-3-phenacylpyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
• CAS No.: 917567-63-6
• Molecular Formula: C17H19N2O10P
• ChEMBL ID: CHEMBL215381
• DSSTox Substance ID: DTXSID20475413
• Wikidata: Q82305932

Synonyms:CHEMBL215381;CTK3I0370;917567-63-6;DTXSID20475413;BDBM50199174;3-phenacyl-1-beta-D-ribofuranosylpyrimidine-2,4-dione 5''-monophosphate

Chemical Property of [(2R,3S,4R,5R)-5-(2,4-dioxo-3-phenacylpyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate

Chemical Property:

• XLogP3: -2.4
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 7
• Exact Mass: 442.07773180
• Heavy Atom Count: 30
• Complexity: 762

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)CN2C(=O)C=CN(C2=O)C3C(C(C(O3)COP(=O)(O)O)O)O
• Isomeric SMILES: C1=CC=C(C=C1)C(=O)CN2C(=O)C=CN(C2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O

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