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(Q82882999)
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English
3-(2-Deoxypentofuranosyl)-6,7-dihydroxy-3,5,6,7-tetrahydro-9H-imidazo[1,2-a]purin-9-one
group of stereoisomers with the chemical formula C₁₂H₁₅N₅O₆
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
325.1022332
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₁₅N₅O₆
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
O=c1c2ncn(C3CC(O)C(CO)O3)c2nc2n1C(O)C(O)N2
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
O=c1c2ncn([C@H]3C[C@H](O)[C@@H](CO)O3)c2nc2n1C(O)C(O)N2
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C12H15N5O6/c18-2-5-4(19)1-6(23-5)16-3-13-7-8(16)14-12-15-9(20)11(22)17(12)10(7)21/h3-6,9,11,18-20,22H,1-2H2,(H,14,15)/t4-,5+,6+,9?,11?/m0/s1
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InChIKey
JHERHCNYUORGNY-KYEUBIKSSA-N
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CAS Registry Number
99508-95-9
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PubChem CID
188575
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
31904569
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30912662
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DSSTOX compound identifier
DTXCID801341679
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