(Q82760981)

English

2'-Deoxy-N-[3,4-dihydroxy-2-(phenylselanyl)butyl]adenosine

group of stereoisomers with the chemical formula C₂₀H₂₅N₅O₅Se

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Statements

group of stereoisomers

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chemical compound

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495.10209019999996 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₅N₅O₅Se

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based on heuristic

inferred from SMILES

canonical SMILES

OCC(O)C(CNc1ncnc2c1ncn2C1CC(O)C(CO)O1)[Se]c1ccccc1

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

OCC(O)C(CNc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1)[Se]c1ccccc1

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C20H25N5O5Se/c26-8-14(29)16(31-12-4-2-1-3-5-12)7-21-19-18-20(23-10-22-19)25(11-24-18)17-6-13(28)15(9-27)30-17/h1-5,10-11,13-17,26-29H,6-9H2,(H,21,22,23)/t13-,14?,15+,16?,17+/m0/s1

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KQZDNGUIDVRONH-AMPGOEKISA-N

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CAS Registry Number

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26 December 2021

UniChem compound ID

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DSSTox substance ID

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DSSTOX compound identifier

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