(Q82963529)

English

1-{5-O-[{[{[6-(6-Amino-9H-purin-9-yl)-2-oxido-2-oxotetrahydro-2H-2lambda~5~-furo[3,4-d][1,3,2]dioxaphosphol-4-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]pentofuranosyl}-3-[hydroxy(imino)me thyl]pyridin-1-ium

group of stereoisomers with the chemical formula C₂₁H₂₆N₇O₁₆P₃

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

725.0648876420001 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₆N₇O₁₆P₃

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based on heuristic

inferred from SMILES

canonical SMILES

N=C(O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C4OP(=O)([O-])OC34)C(O)C2O)c1

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H]4OP(=O)([O-])OC34)C(O)[C@@H]2O)c1

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C21H26N7O16P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16-15(42-47(36,37)43-16)11(41-21)6-39-46(34,35)44-45(32,33)38-5-10-13(29)14(30)20(40-10)27-3-1-2-9(4-27)18(23)31/h1-4,7-8,10-11,13-16,20-21,29-30H,5-6H2,(H6-,22,23,24,25,31,32,33,34,35,36,37)/t10-,11-,13?,14+,15?,16+,20-,21-/m1/s1

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InChIKey

FYSCLQKJEHBMFH-SDQJTPJCSA-N

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DSSTOX compound identifier

DTXCID601405520

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(Q82963529)

1-{5-O-[{[{[6-(6-Amino-9H-purin-9-yl)-2-oxido-2-oxotetrahydro-2H-2lambda~5~-furo[3,4-d][1,3,2]dioxaphosphol-4-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]pentofuranosyl}-3-[hydroxy(imino)me thyl]pyridin-1-ium

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