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English
1-{2-Deoxy-5-O-[(ethoxycarbonyl)(methoxy)phosphoryl]pentofuranosyl}-4-hydroxy-5-iodopyrimidin-2(1H)-one
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
503.97946478599994
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₁₈IN₂O₉P
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCOC(=O)P(=O)(OC)OCC1OC(n2cc(I)c(O)nc2=O)CC1O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCOC(=O)P(=O)(OC)OC[C@H]1O[C@@H](n2cc(I)c(O)nc2=O)C[C@@H]1O
1 reference
based on heuristic
inferred from InChI
catalog
CAS COVID-19 Anti-Viral Candidate Compounds
0 references
Identifiers
InChI
InChI=1S/C13H18IN2O9P/c1-3-23-13(20)26(21,22-2)24-6-9-8(17)4-10(25-9)16-5-7(14)11(18)15-12(16)19/h5,8-10,17H,3-4,6H2,1-2H3,(H,15,18,19)/t8-,9+,10+,26?/m0/s1
0 references
InChIKey
PRQBMVNSXHMPPW-RBNARBKTSA-N
0 references
CAS Registry Number
115365-15-6
0 references
PubChem CID
5272114
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
48994481
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60921681
0 references
DSSTOX compound identifier
DTXCID601350571
0 references
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