Zierin

CAS Registry Number®

645-02-3

CAS Name

Zierin

Molecular Formula

C14H17NO7

Molecular Mass

311.29

Cite this Page

Zierin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=645-02-3 (retrieved 2024-12-22) (CAS RN: 645-02-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    156 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C14H17NO7/c15-5-9(7-2-1-3-8(17)4-7)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=KCVXNPDAHDGXFD-YOVYLDAJSA-N

SMILES

O([C@H](C#N)C1=CC(O)=CC=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)C=2C=CC=C(O)C2

Other Names for this Substance

  • Benzeneacetonitrile, α-(β-D-glucopyranosyloxy)-3-hydroxy-, (αS)-
  • Benzeneacetonitrile, α-(β-D-glucopyranosyloxy)-3-hydroxy-, (S)-
  • (αS)-α-(β-D-Glucopyranosyloxy)-3-hydroxybenzeneacetonitrile
  • Zierin
  • O-β-D-Glucopyranosyl-L-m-hydroxymandelonitrile

CAS INSIGHTSTM
Pile of blue, green, and white color of capsule pills with modern design light.