2-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-2-(4-oxo-2-sulfanylidenepyrimidin-1-yl)oxolan-3-yl]oxyethyl acetate

Base Information

• Chemical Name: 2-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-2-(4-oxo-2-sulfanylidenepyrimidin-1-yl)oxolan-3-yl]oxyethyl acetate
• CAS No.: 647839-14-3
• Molecular Formula: C₁₃H₁₈N₂O₇S
• Molecular Weight: 346.361
• DSSTox Substance ID: DTXSID30463563
• Nikkaji Number: J1.993.430F

Synonyms:647839-14-3;CTK2A3327;2-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-2-(4-oxo-2-sulfanylidenepyrimidin-1-yl)oxolan-3-yl]oxyethyl acetate;DTXSID30463563

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

Chemical Property:

• XLogP3: -1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 346.08347209
• Heavy Atom Count: 23
• Complexity: 513

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCCOC1C(C(OC1N2C=CC(=O)NC2=S)CO)O
• Isomeric SMILES: CC(=O)OCCO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=S)CO)O

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