(Q82893269)

English

1-Deoxy-1-[(4-methylphenyl)(nitroso)amino]hex-2-ulopyranose

chemical compound

In more languages

Statements

group of stereoisomers

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chemical compound

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298.116486296 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₃H₁₈N₂O₆

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

Cc1ccc(N(CC2(O)OCC(O)C(O)C2O)N=O)cc1

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

Cc1ccc(N(CC2(O)OC[C@@H](O)[C@@H](O)[C@@H]2O)N=O)cc1

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C13H18N2O6/c1-8-2-4-9(5-3-8)15(14-20)7-13(19)12(18)11(17)10(16)6-21-13/h2-5,10-12,16-19H,6-7H2,1H3/t10-,11-,12+,13?/m1/s1

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PTAFVMYPDHJIFU-FKJOKYEKSA-N

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CAS Registry Number

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1 reference

26 December 2021

UniChem compound ID

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DSSTox substance ID

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DSSTOX compound identifier

DTXCID601349491

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