(Q82902037)

English

1-(3-Azido-2,3-dideoxy-5-O-{[3-(hexadecyloxy)-2-methoxypropyl](hydroxy)phosphoryl}pentofuranosyl)-4-hydroxy-5-methylpyrimidin-2(1H)-one

group of stereoisomers with the chemical formula C₃₀H₅₄N₅O₈P

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

643.3710003179999 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₀H₅₄N₅O₈P

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based on heuristic

inferred from SMILES

canonical SMILES

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

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

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

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C30H54N5O8P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-41-21-25(40-3)23-44(38,39)42-22-27-26(33-34-31)19-28(43-27)35-20-24(2)29(36)32-30(35)37/h20,25-28H,4-19,21-23H2,1-3H3,(H,38,39)(H,32,36,37)/t25?,26-,27+,28+/m0/s1

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InChIKey

MBHCXWUFJJMURF-OXXZQLOYSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID901356209

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(Q82902037)

1-(3-Azido-2,3-dideoxy-5-O-{[3-(hexadecyloxy)-2-methoxypropyl](hydroxy)phosphoryl}pentofuranosyl)-4-hydroxy-5-methylpyrimidin-2(1H)-one

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Identifiers

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