4-amino-5-fluoro-1-[(2S,4S)-2-(hydroxymethyl)-1,3-oxathiolan-4-yl]pyrimidin-2-one

Base Information

• Chemical Name: 4-amino-5-fluoro-1-[(2S,4S)-2-(hydroxymethyl)-1,3-oxathiolan-4-yl]pyrimidin-2-one
• CAS No.: 160707-70-0
• Molecular Formula: C8H10FN3O3S
• DSSTox Substance ID: DTXSID901128147
• Nikkaji Number: J645.729K
• Mol file: 160707-70-0.mol

Synonyms:(+)-dOTFC;SCHEMBL5608119;DTXSID901128147;4-amino-5-fluoro-1-[(2S,4S)-2-(hydroxymethyl)-1,3-oxathiolan-4-yl]pyrimidin-2-one;(+)-2'-Deoxy-3'-oxa-4'-thio-5-fluorocytidine;1-[2alpha-(Hydroxymethyl)-1,3-oxathiolane-4alpha-yl]-5-fluorocytosine;4-Amino-5-fluoro-1-[(2S,4S)-2-(hydroxymethyl)-1,3-oxathiolan-4-yl]-2(1H)-pyrimidinone;160707-70-0

Chemical Property of 4-amino-5-fluoro-1-[(2S,4S)-2-(hydroxymethyl)-1,3-oxathiolan-4-yl]pyrimidin-2-one

Chemical Property:

• XLogP3: -0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 247.04269053
• Heavy Atom Count: 16
• Complexity: 374

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C(SC(O1)CO)N2C=C(C(=NC2=O)N)F
• Isomeric SMILES: C1[C@H](S[C@H](O1)CO)N2C=C(C(=NC2=O)N)F