(Q82900798)

English

1-{3-Azido-5-O-[(2-cyanoethoxy){[5-(6-hydroxy-9H-purin-9-yl)oxolan-2-yl]methoxy}phosphoryl]-2,3-dideoxypentofuranosyl}-4-hydroxy-5-methylpyrimidin-2(1H)-one

group of stereoisomers with the chemical formula C₂₃H₂₇N₁₀O₉P

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

618.1700090740001 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₃H₂₇N₁₀O₉P

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based on heuristic

inferred from SMILES

canonical SMILES

Cc1cn(C2CC(N=[N+]=[N-])C(COP(=O)(OCCC#N)OCC3CCC(n4cnc5c(O)ncnc54)O3)O2)c(=O)nc1O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

Cc1cn([C@H]2CC(N=[N+]=[N-])[C@@H](COP(=O)(OCCC#N)OC[C@H]3CC[C@@H](n4cnc5c(O)ncnc54)O3)O2)c(=O)nc1O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C23H27N10O9P/c1-13-8-32(23(36)29-21(13)34)18-7-15(30-31-25)16(42-18)10-40-43(37,38-6-2-5-24)39-9-14-3-4-17(41-14)33-12-28-19-20(33)26-11-27-22(19)35/h8,11-12,14-18H,2-4,6-7,9-10H2,1H3,(H,26,27,35)(H,29,34,36)/t14-,15?,16-,17+,18-,43?/m1/s1

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InChIKey

IRDRTUGDIVHHRT-YTMNGRHUSA-N

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26 December 2021

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DSSTOX compound identifier

DTXCID201355117

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(Q82900798)

1-{3-Azido-5-O-[(2-cyanoethoxy){[5-(6-hydroxy-9H-purin-9-yl)oxolan-2-yl]methoxy}phosphoryl]-2,3-dideoxypentofuranosyl}-4-hydroxy-5-methylpyrimidin-2(1H)-one

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Identifiers

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