(Q104251825)

English

(2R)-2-phenyl-2-[(4S,5S)-3,4,5-trihydroxy-6-[[(3R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyacetonitrile

group of stereoisomers with the chemical formula C₂₀H₂₇NO₁₁

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instance of

group of stereoisomers

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subclass of

(R)-mandelonitrile disaccharide

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based on heuristic

inferred from SMILES

mass

457.158410684 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₇NO₁₁

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canonical SMILES

N#CC(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C=3C=CC=CC3

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isomeric SMILES

N#C[C@H](OC1OC(COC2O[C@H](CO)[C@@H](O)C(O)[C@H]2O)[C@@H](O)[C@H](O)C1O)c1ccccc1

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1 reference

Identifiers

InChI

InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11+,12?,13+,14+,15?,16-,17+,18?,19?,20?/m0/s1

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InChIKey

XUCIJNAGGSZNQT-MUXXRXLQSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

XUCIJNAGGSZNQT-MUXXRXLQSA-N

1 reference

(Q104251825)

(2R)-2-phenyl-2-[(4S,5S)-3,4,5-trihydroxy-6-[[(3R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyacetonitrile

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