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(Q82598126)
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English
5-Amino-1-[(2xi)-beta-D-threo-pentofuranosyl]pyrimidine-2,4(1H,3H)-dione--hydrogen chloride (1/1)
group of stereoisomers with the chemical formula C₉H₁₄ClN₃O₆
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
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mass
295.057112848
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₉H₁₄ClN₃O₆
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
Cl.Nc1cn(C2OC(CO)C(O)C2O)c(=O)nc1O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
Cl.Nc1cn([C@@H]2O[C@H](CO)[C@H](O)C2O)c(=O)nc1O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C9H13N3O6.ClH/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8;/h1,4-6,8,13-15H,2,10H2,(H,11,16,17);1H/t4-,5+,6?,8-;/m1./s1
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InChIKey
FPVJCMJKVVJWAA-RMQALDHISA-N
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CAS Registry Number
116154-74-6
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PubChem CID
46780367
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
22665079
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10675607
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DSSTOX compound identifier
DTXCID10626356
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