(Q82983329)

English

1-{[2-(1-Hydroxyethyl)-1-benzofuran-7-yl]oxy}-3-[(propan-2-yl)amino]propan-2-yl hexopyranosiduronic acid

group of stereoisomers with the chemical formula C₂₂H₃₁NO₁₀

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

469.19479619199984 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₁NO₁₀

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based on heuristic

inferred from SMILES

canonical SMILES

CC(C)NCC(COc1cccc2cc(C(C)O)oc12)OC1OC(C(=O)O)C(O)C(O)C1O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC(C)NCC(COc1cccc2cc(C(C)O)oc12)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C22H31NO10/c1-10(2)23-8-13(31-22-18(27)16(25)17(26)20(33-22)21(28)29)9-30-14-6-4-5-12-7-15(11(3)24)32-19(12)14/h4-7,10-11,13,16-18,20,22-27H,8-9H2,1-3H3,(H,28,29)/t11?,13?,16-,17-,18+,20-,22+/m0/s1

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InChIKey

WEOVSIBZCGHNQQ-OARHJJEASA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID101419928

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(Q82983329)

1-{[2-(1-Hydroxyethyl)-1-benzofuran-7-yl]oxy}-3-[(propan-2-yl)amino]propan-2-yl hexopyranosiduronic acid

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Identifiers

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