(Q82905844)

English

1-{2,3-Dideoxy-3-fluoro-5-O-[{[hydroxy(phosphonooxy)phosphoryl]oxy}(methyl)phosphoryl]pentofuranosyl}-4-hydroxy-5-methylpyrimidin-2(1H)-one

group of stereoisomers with the chemical formula C₁₁H₁₈FN₂O₁₂P₃

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

482.00566212599983 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₁H₁₈FN₂O₁₂P₃

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

Cc1cn(C2CC(F)C(COP(C)(=O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)nc1O

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

Cc1cn([C@H]2C[C@H](F)[C@@H](COP(C)(=O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)nc1O

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based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C11H18FN2O12P3/c1-6-4-14(11(16)13-10(6)15)9-3-7(12)8(24-9)5-23-27(2,17)25-29(21,22)26-28(18,19)20/h4,7-9H,3,5H2,1-2H3,(H,21,22)(H,13,15,16)(H2,18,19,20)/t7-,8+,9+,27?/m0/s1

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InChIKey

WKXOZXVEHIXZBC-DMCCTYFOSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID801359200

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(Q82905844)

1-{2,3-Dideoxy-3-fluoro-5-O-[{[hydroxy(phosphonooxy)phosphoryl]oxy}(methyl)phosphoryl]pentofuranosyl}-4-hydroxy-5-methylpyrimidin-2(1H)-one

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