(Q82842514)

English

Sodium (6R)-6-(2-amino-8-bromo-6-oxo-3,6-dihydro-9H-purin-9-yl)-7-hydroxy-2-sulfanylidenetetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-2-olate

chemical compound

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

460.91704705 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₀H₁₀BrN₅NaO₆PS

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

N=c1nc([O-])c2nc(Br)n(C3OC4COP(O)(=S)OC4C3O)c2[nH]1.[Na+]

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

N=c1nc([O-])c2nc(Br)n([C@@H]3OC4COP(O)(=S)OC4C3O)c2[nH]1.[Na+]

1 reference

based on heuristic

inferred from InChI

catalog

CAS COVID-19 Anti-Viral Candidate Compounds

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Identifiers

InChI

InChI=1S/C10H11BrN5O6PS.Na/c11-9-13-3-6(14-10(12)15-7(3)18)16(9)8-4(17)5-2(21-8)1-20-23(19,24)22-5;/h2,4-5,8,17H,1H2,(H,19,24)(H3,12,14,15,18);/q;+1/p-1/t2?,4?,5?,8-,23?;/m1./s1

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InChIKey

CHTSSROWUAICIL-YKHKOMLCSA-M

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID20800342

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(Q82842514)

Sodium (6R)-6-(2-amino-8-bromo-6-oxo-3,6-dihydro-9H-purin-9-yl)-7-hydroxy-2-sulfanylidenetetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-2-olate

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Identifiers

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