(Q82889474)

English

1-{5-[(2-Amino-1-hydroxypropylidene)amino]-5-deoxyhexofuranuronosyl}-4-hydroxypyrimidin-2(1H)-one

group of stereoisomers with the chemical formula C₁₃H₁₈N₄O₈

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Statements

group of stereoisomers

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chemical compound

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358.11246353599995 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₃H₁₈N₄O₈

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based on heuristic

inferred from SMILES

canonical SMILES

CC(N)C(O)=NC(C(=O)O)C1OC(n2ccc(O)nc2=O)C(O)C1O

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC(N)C(=O)NC(C(=O)O)[C@H]1O[C@@H](n2ccc(O)nc2=O)[C@H](O)[C@@H]1O

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based on heuristic

inferred from InChI

Identifiers

InChI=1S/C13H18N4O8/c1-4(14)10(21)16-6(12(22)23)9-7(19)8(20)11(25-9)17-3-2-5(18)15-13(17)24/h2-4,6-9,11,19-20H,14H2,1H3,(H,16,21)(H,22,23)(H,15,18,24)/t4?,6?,7-,8+,9+,11+/m0/s1

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LEEINPKXKQPCMH-JZHVCHIGSA-N

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CAS Registry Number

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26 December 2021

UniChem compound ID

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DSSTox substance ID

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DSSTOX compound identifier

DTXCID001346720

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