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English
5-Bromo-1-(2-deoxypentofuranosyl)pyrimidin-2(1H)-one
group of stereoisomers with the chemical formula C₉H₁₁BrN₂O₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
289.990218932
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₉H₁₁BrN₂O₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
O=c1ncc(Br)cn1C1CC(O)C(CO)O1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
O=c1ncc(Br)cn1C1C[C@H](O)[C@@H](CO)O1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C9H11BrN2O4/c10-5-2-11-9(15)12(3-5)8-1-6(14)7(4-13)16-8/h2-3,6-8,13-14H,1,4H2/t6-,7+,8?/m0/s1
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InChIKey
ZVJGRUIFYOSAMF-KJFJCRTCSA-N
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CAS Registry Number
96245-87-3
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PubChem CID
125895
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
50324441
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50914603
0 references
DSSTOX compound identifier
DTXCID101343593
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