1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-(2-methoxyethoxy)oxolan-2-yl]-2-sulfanylidenepyrimidin-4-one

Base Information

• Chemical Name: 1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-(2-methoxyethoxy)oxolan-2-yl]-2-sulfanylidenepyrimidin-4-one
• CAS No.: 647839-20-1
• Molecular Formula: C₁₂H₁₈N₂O₆S
• Molecular Weight: 318.351
• DSSTox Substance ID: DTXSID60458129
• Nikkaji Number: J1.805.578C

Synonyms:CTK2A3325;DTXSID60458129;2'-O-(2-Methoxyethyl)-2-thiouridine;1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-(2-methoxyethoxy)oxolan-2-yl]-2-sulfanylidenepyrimidin-4-one

Chemical Property of 1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-(2-methoxyethoxy)oxolan-2-yl]-2-sulfanylidenepyrimidin-4-one

Chemical Property:

• XLogP3: -1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 318.08855747
• Heavy Atom Count: 21
• Complexity: 432

Purity/Quality:

99.3% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: COCCOC1C(C(OC1N2C=CC(=O)NC2=S)CO)O
• Isomeric SMILES: COCCO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=S)CO)O

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