(S)-4-hydroxymandelonitrile beta-D-glucoside
AlkaPlorer ID: AK018083
Synonym: 'Dhurrin', '', 'Taxiphyllin', '(2R)-taxiphyllin', '(alphaS)-alpha-(beta-D-glucopyranosyloxy)-4-hydroxybenzeneacetonitrile', '(S)-(beta-D-glucopyranosyloxy)(4-hydroxyphenyl)acetonitrile', 'dhurrin', '(2S)-dhurrin', '(S)-4-Hydroxymandelonitrile beta-D-glucoside'
IUPAC Name: (2S)-2-(4-hydroxyphenyl)-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetonitrile
Structure
SMILES: N#C[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C1=CC=C(O)C=C1
InChI: InChI=1S/C14H17NO7/c15-5-9(7-1-3-8(17)4-2-7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-4,9-14,16-20H,6H2/t9-,10-,11+,12+,13-,14+/m1/s1
InChIKey: NVLTYOJHPBMILU-WCQYUDONSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 311.29
TPSA？: 143.4
MolLogP？: -1.22662
Number of H-Donors: 5
Number of H-Acceptors: 8
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|