Dhurrin

CAS Registry Number®

499-20-7

CAS Name

Dhurrin

Molecular Formula

C14H17NO7

Molecular Mass

311.29

Cite this Page

Dhurrin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=499-20-7 (retrieved 2024-11-24) (CAS RN: 499-20-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    200 °C (decomp)

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

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

InChIKey=NVLTYOJHPBMILU-YOVYLDAJSA-N

SMILES

O([C@H](C#N)C1=CC=C(O)C=C1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O

Canonical SMILES

N#CC(OC1OC(CO)C(O)C(O)C1O)C2=CC=C(O)C=C2

Other Names for this Substance

  • Benzeneacetonitrile, α-(β-D-glucopyranosyloxy)-4-hydroxy-, (αS)-
  • Dhurrin
  • Benzeneacetonitrile, α-(β-D-glucopyranosyloxy)-4-hydroxy-, (S)-
  • Glucoside, α-cyano-p-hydroxybenzyl
  • (αS)-α-(β-D-Glucopyranosyloxy)-4-hydroxybenzeneacetonitrile

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Deleted or Replaced CAS Registry Numbers

96788-82-8, 802274-24-4

CAS INSIGHTSTM
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