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English
5-(2-Chloroethyl)-1-{2-deoxy-5-O-[(2-ethoxy-2-oxoethyl)(methoxy)phosphoryl]pentofuranosyl}-4-hydroxypyrimidin-2(1H)-one
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
454.09079465799994
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₂₄ClN₂O₉P
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCOC(=O)CP(=O)(OC)OCC1OC(n2cc(CCCl)c(O)nc2=O)CC1O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCOC(=O)CP(=O)(OC)OC[C@H]1O[C@@H](n2cc(CCCl)c(O)nc2=O)C[C@@H]1O
1 reference
based on heuristic
inferred from InChI
catalog
CAS COVID-19 Anti-Viral Candidate Compounds
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Identifiers
InChI
InChI=1S/C16H24ClN2O9P/c1-3-26-14(21)9-29(24,25-2)27-8-12-11(20)6-13(28-12)19-7-10(4-5-17)15(22)18-16(19)23/h7,11-13,20H,3-6,8-9H2,1-2H3,(H,18,22,23)/t11-,12+,13+,29?/m0/s1
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InChIKey
CVKYOGQCDHAVQJ-OXHRZZMISA-N
0 references
CAS Registry Number
115365-21-4
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PubChem CID
5272119
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
58808009
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60921686
0 references
DSSTOX compound identifier
DTXCID101350576
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