(Q82897734)

English

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

group of stereoisomers with the chemical formula C₂₃H₂₈N₁₁O₈P

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

617.1859934860001 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₃H₂₈N₁₁O₈P

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based on heuristic

inferred from SMILES

canonical SMILES

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

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

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

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C23H28N11O8P/c1-13-8-33(23(36)30-22(13)35)18-7-15(31-32-26)16(42-18)10-40-43(37,38-6-2-5-24)39-9-14-3-4-17(41-14)34-12-29-19-20(25)27-11-28-21(19)34/h8,11-12,14-18H,2-4,6-7,9-10H2,1H3,(H2,25,27,28)(H,30,35,36)/t14-,15-,16+,17+,18+,43?/m0/s1

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InChIKey

ZZOQOCAXOCFBLH-GTTJKFTRSA-N

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26 December 2021

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DSSTOX compound identifier

DTXCID101352546

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(Q82897734)

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

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