(Q82902036)

English

Sodium 1-{3-azido-2,3-dideoxy-5-O-[{2-ethoxy-3-[(1-oxidanidyloctadecylidene)amino]propoxy}(hydroxy)phosphoryl]pentofuranosyl}-4-hydroxy-5-methylpyrimidin-2(1H)-one

group of stereoisomers with the chemical formula C₃₃H₅₈N₆NaO₉P

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

736.3900583459999 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₃H₅₈N₆NaO₉P

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based on heuristic

inferred from SMILES

canonical SMILES

CCCCCCCCCCCCCCCCCC([O-])=NCC(COP(=O)(O)OCC1OC(n2cc(C)c(O)nc2=O)CC1N=[N+]=[N-])OCC.[Na+]

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCCCCCCCCCCCCCCCCC([O-])=NCC(COP(=O)(O)OC[C@H]1O[C@@H](n2cc(C)c(O)nc2=O)C[C@@H]1N=[N+]=[N-])OCC.[Na+]

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C33H59N6O9P.Na/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-30(40)35-22-27(45-5-2)24-46-49(43,44)47-25-29-28(37-38-34)21-31(48-29)39-23-26(3)32(41)36-33(39)42;/h23,27-29,31H,4-22,24-25H2,1-3H3,(H,35,40)(H,43,44)(H,36,41,42);/q;+1/p-1/t27?,28-,29+,31+;/m0./s1

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InChIKey

BAPXDLATVJKKRD-ZIYRSEDISA-M

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DSSTOX compound identifier

DTXCID201356208

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(Q82902036)

Sodium 1-{3-azido-2,3-dideoxy-5-O-[{2-ethoxy-3-[(1-oxidanidyloctadecylidene)amino]propoxy}(hydroxy)phosphoryl]pentofuranosyl}-4-hydroxy-5-methylpyrimidin-2(1H)-one

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Identifiers

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