4-Isothiocyanatophenyl 2-(acetylamino)-2-deoxy-β-D-glucopyranoside

CAS Registry Number®

20581-43-5
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CAS Name

4-Isothiocyanatophenyl 2-(acetylamino)-2-deoxy-β-D-glucopyranoside

Molecular Formula

C15H18N2O6S

Molecular Mass

354.38

Cite this Page

4-Isothiocyanatophenyl 2-(acetylamino)-2-deoxy-β-D-glucopyranoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=20581-43-5 (retrieved 2024-04-20) (CAS RN: 20581-43-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C15H18N2O6S/c1-8(19)17-12-14(21)13(20)11(6-18)23-15(12)22-10-4-2-9(3-5-10)16-7-24/h2-5,11-15,18,20-21H,6H2,1H3,(H,17,19)/t11-,12-,13-,14-,15-/m1/s1

InChIKey

InChIKey=HJZSQYSGYXWFQT-KJWHEZOQSA-N

SMILES

O([C@H]1[C@H](NC(C)=O)[C@@H](O)[C@H](O)[C@@H](CO)O1)C2=CC=C(N=C=S)C=C2

Canonical SMILES

O=C(NC1C(O)C(O)C(OC1OC2=CC=C(N=C=S)C=C2)CO)C

Other Names for this Substance

  • β-D-Glucopyranoside, 4-isothiocyanatophenyl 2-(acetylamino)-2-deoxy-
  • Isothiocyanic acid, p-[(2-acetamido-2-deoxy-β-D-glucopyranosyl)oxy]phenyl ester
  • 4-Isothiocyanatophenyl 2-(acetylamino)-2-deoxy-β-D-glucopyranoside

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