(Q82889473)

English

1-{5-[(2-Amino-1,3-dihydroxybutylidene)amino]-5-deoxyhexofuranuronosyl}-4-hydroxypyrimidin-2(1H)-one

group of stereoisomers with the chemical formula C₁₄H₂₀N₄O₉

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Statements

group of stereoisomers

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chemical compound

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388.1230282199999 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₄H₂₀N₄O₉

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based on heuristic

inferred from SMILES

canonical SMILES

CC(O)C(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(O)C(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/C14H20N4O9/c1-4(19)6(15)11(23)17-7(13(24)25)10-8(21)9(22)12(27-10)18-3-2-5(20)16-14(18)26/h2-4,6-10,12,19,21-22H,15H2,1H3,(H,17,23)(H,24,25)(H,16,20,26)/t4?,6?,7?,8-,9+,10+,12+/m0/s1

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SBEXMQUNXZTJJN-AGRLQRAUSA-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

DTXCID701346719

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