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English
1-(2-Deoxy-2-fluoropentofuranosyl)-4-hydroxy-5-(2-iodo-1-methoxyethyl)pyrimidin-2(1H)-one
group of stereoisomers with the chemical formula C₁₂H₁₆FIN₂O₆
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
430.0037124519999
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₁₆FIN₂O₆
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
COC(CI)c1cn(C2OC(CO)C(O)C2F)c(=O)nc1O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
COC(CI)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2F)c(=O)nc1O
1 reference
based on heuristic
inferred from InChI
catalog
CAS COVID-19 Anti-Viral Candidate Compounds
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Identifiers
InChI
InChI=1S/C12H16FIN2O6/c1-21-6(2-14)5-3-16(12(20)15-10(5)19)11-8(13)9(18)7(4-17)22-11/h3,6-9,11,17-18H,2,4H2,1H3,(H,15,19,20)/t6?,7-,8-,9-,11-/m1/s1
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InChIKey
KADYVQWJOLNYEE-NFSOJESZSA-N
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CAS Registry Number
123881-95-8
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PubChem CID
5271956
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
56310743
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70924623
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DSSTOX compound identifier
DTXCID001353460
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