(Q82903346)

English

1-(3-Azido-2,3-dideoxy-5-O-{ethoxy[(4-methoxy-4-oxobutyl)amino]phosphoryl}pentofuranosyl)-4-hydroxy-5-methylpyrimidin-2(1H)-one

group of stereoisomers with the chemical formula C₁₇H₂₇N₆O₈P

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

474.1627984540001 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₇H₂₇N₆O₈P

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based on heuristic

inferred from SMILES

canonical SMILES

CCOP(=O)(NCCCC(=O)OC)OCC1OC(n2cc(C)c(O)nc2=O)CC1N=[N+]=[N-]

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCOP(=O)(NCCCC(=O)OC)OC[C@H]1O[C@@H](n2cc(C)c(O)nc2=O)C[C@@H]1N=[N+]=[N-]

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C17H27N6O8P/c1-4-29-32(27,19-7-5-6-15(24)28-3)30-10-13-12(21-22-18)8-14(31-13)23-9-11(2)16(25)20-17(23)26/h9,12-14H,4-8,10H2,1-3H3,(H,19,27)(H,20,25,26)/t12-,13+,14+,32?/m0/s1

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InChIKey

WJZMAVPYIKSQFR-CONJGFJISA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID401357307

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(Q82903346)

1-(3-Azido-2,3-dideoxy-5-O-{ethoxy[(4-methoxy-4-oxobutyl)amino]phosphoryl}pentofuranosyl)-4-hydroxy-5-methylpyrimidin-2(1H)-one

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Identifiers

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