4-(Acetylamino)-3-methoxyphenyl β-D-glucopyranosiduronic acid

CAS Registry Number®

53446-12-1

CAS Name

4-(Acetylamino)-3-methoxyphenyl β-D-glucopyranosiduronic acid

Molecular Formula

C15H19NO9

Molecular Mass

357.31

Cite this Page

4-(Acetylamino)-3-methoxyphenyl β-D-glucopyranosiduronic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=53446-12-1 (retrieved 2024-11-24) (CAS RN: 53446-12-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C15H19NO9/c1-6(17)16-8-4-3-7(5-9(8)23-2)24-15-12(20)10(18)11(19)13(25-15)14(21)22/h3-5,10-13,15,18-20H,1-2H3,(H,16,17)(H,21,22)/t10-,11-,12+,13-,15+/m0/s1

InChIKey

InChIKey=GDCCQRYSPGZVPX-DKBOKBLXSA-N

SMILES

O([C@@H]1O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]1O)C2=CC(OC)=C(NC(C)=O)C=C2

Canonical SMILES

O=C(O)C1OC(OC2=CC=C(NC(=O)C)C(OC)=C2)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, 4-(acetylamino)-3-methoxyphenyl
  • 4-(Acetylamino)-3-methoxyphenyl β-D-glucopyranosiduronic acid
  • 2-Methoxy-4-glucuronideacetanilide

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