(Q82935662)

English

1-(Hexopyranosyloxy)cyclopent-2-ene-1-carbonitrile

chemical compound

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Statements

group of stereoisomers

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chemical compound

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271.105587264 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₁₂H₁₇NO₆

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canonical SMILES

N#CC1(OC2OC(CO)C(O)C(O)C2O)C=CCC1

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isomeric SMILES

N#CC1(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=CCC1

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Identifiers

InChI=1S/C12H17NO6/c13-6-12(3-1-2-4-12)19-11-10(17)9(16)8(15)7(5-14)18-11/h1,3,7-11,14-17H,2,4-5H2/t7-,8-,9+,10-,11+,12?/m1/s1

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HBCFZAXOSTUEHA-NDGJQHBWSA-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

DTXCID601383859

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