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(Q82598622)
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English
5-Fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl](2-~13~C,~15~N_2_)pyrimidine-2,4(1H,3H)-dione
chemical compound
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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mass
251.02413062800002
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₈H₉FN₂O₄S
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canonical SMILES
O=c1[15nH][13c](=O)[15n](C2CSC(CO)O2)cc1F
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C1[C@H](O[C@H](S1)CO)[15N]2C=C(C(=O)[15NH][13C]2=O)F
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catalog
CAS COVID-19 Anti-Viral Candidate Compounds
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Identifiers
InChI
InChI=1S/C8H9FN2O4S/c9-4-1-11(8(14)10-7(4)13)5-3-16-6(2-12)15-5/h1,5-6,12H,2-3H2,(H,10,13,14)/t5-,6+/m0/s1/i8+1,10+1,11+1
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InChIKey
KOGYOPLNKQJQFM-WHTUVWIHSA-N
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CAS Registry Number
1217728-33-0
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PubChem CID
46781616
1 reference
matched by identifier from
InChIKey
InChIKey
KOGYOPLNKQJQFM-WHTUVWIHSA-N
UniChem compound ID
23012987
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70675906
1 reference
matched by identifier from
InChIKey
InChIKey
KOGYOPLNKQJQFM-WHTUVWIHSA-N
DSSTOX compound identifier
DTXCID70626655
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