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(Q82989920)
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English
5-(1-Hydroxyethyl)-7-pentofuranosyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
group of stereoisomers with the chemical formula C₁₃H₁₈N₄O₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
310.127719676
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₁₈N₄O₅
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(O)c1cn(C2OC(CO)C(O)C2O)c2ncnc(N)c12
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(O)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ncnc(N)c12
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C13H18N4O5/c1-5(19)6-2-17(12-8(6)11(14)15-4-16-12)13-10(21)9(20)7(3-18)22-13/h2,4-5,7,9-10,13,18-21H,3H2,1H3,(H2,14,15,16)/t5?,7-,9-,10-,13-/m1/s1
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InChIKey
JYIAJJSNXKIKNO-OEOQMHLKSA-N
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CAS Registry Number
76319-88-5
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PubChem CID
512719
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
58335235
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80997686
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DSSTOX compound identifier
DTXCID801424687
0 references
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