(Q82894708)

English

1,5-Anhydro-2-C-(~18~F)fluoro-1-(1-{5-O-[hydroxy(phosphonooxy)phosphoryl]pentofuranosyl}-4-oxo-1,4-dihydropyrimidin-2-yl)hexitol

chemical compound

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

567.0532189159997 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₅H₂₃FN₂O₁₆P₂

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)c(C2OC(CO)C(O)C(O)C2(O)[18F])n1

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(C2O[C@H](CO)[C@H](O)[C@H](O)[C@]2(O)[18F])n1

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C15H23FN2O16P2/c16-15(25)11(24)9(22)5(3-19)32-12(15)13-17-7(20)1-2-18(13)14-10(23)8(21)6(33-14)4-31-36(29,30)34-35(26,27)28/h1-2,5-6,8-12,14,19,21-25H,3-4H2,(H,29,30)(H2,26,27,28)/t5-,6-,8-,9+,10-,11+,12?,14-,15-/m1/s1/i16-1

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InChIKey

AQNSRHFCXXTYNM-RSMGQJFNSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID501350592

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(Q82894708)

1,5-Anhydro-2-C-(~18~F)fluoro-1-(1-{5-O-[hydroxy(phosphonooxy)phosphoryl]pentofuranosyl}-4-oxo-1,4-dihydropyrimidin-2-yl)hexitol

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