(Q83002843)

English

1-[5-({2-Amino-1-hydroxy-3-[4-(4-hydroxyphenoxy)phenyl]propylidene}amino)-5-deoxyhexofuranuronosyl]-4-hydroxypyrimidin-2(1H)-one

group of stereoisomers with the chemical formula C₂₅H₂₆N₄O₁₀

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

542.164893032 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₅H₂₆N₄O₁₀

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based on heuristic

inferred from SMILES

canonical SMILES

NC(Cc1ccc(Oc2ccc(O)cc2)cc1)C(O)=NC(C(=O)O)C1OC(n2ccc(O)nc2=O)C(O)C1O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

N[C@@H](Cc1ccc(Oc2ccc(O)cc2)cc1)C(=O)N[C@H](C(=O)O)C1O[C@@H](n2ccc(O)nc2=O)[C@H](O)[C@@H]1O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C25H26N4O10/c26-16(11-12-1-5-14(6-2-12)38-15-7-3-13(30)4-8-15)22(34)28-18(24(35)36)21-19(32)20(33)23(39-21)29-10-9-17(31)27-25(29)37/h1-10,16,18-21,23,30,32-33H,11,26H2,(H,28,34)(H,35,36)(H,27,31,37)/t16-,18-,19-,20+,21?,23+/m0/s1

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InChIKey

PCGZLHJGOAQSFE-DFSHTBJVSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID501433843

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(Q83002843)

1-[5-({2-Amino-1-hydroxy-3-[4-(4-hydroxyphenoxy)phenyl]propylidene}amino)-5-deoxyhexofuranuronosyl]-4-hydroxypyrimidin-2(1H)-one

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