4-Nitrophenyl 2-(acetylamino)-2-deoxy-3-O-β-D-galactopyranosyl-β-D-glucopyranoside

CAS Registry Number®

57467-13-7
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CAS Name

4-Nitrophenyl 2-(acetylamino)-2-deoxy-3-O-β-D-galactopyranosyl-β-D-glucopyranoside

Molecular Formula

C20H28N2O13

Molecular Mass

504.44

Cite this Page

4-Nitrophenyl 2-(acetylamino)-2-deoxy-3-O-β-D-galactopyranosyl-β-D-glucopyranoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=57467-13-7 (retrieved 2024-04-28) (CAS RN: 57467-13-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    160 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C20H28N2O13/c1-8(25)21-13-18(35-20-17(29)16(28)14(26)11(6-23)34-20)15(27)12(7-24)33-19(13)32-10-4-2-9(3-5-10)22(30)31/h2-5,11-20,23-24,26-29H,6-7H2,1H3,(H,21,25)/t11-,12-,13-,14+,15-,16+,17-,18-,19-,20+/m1/s1

InChIKey

InChIKey=INMOOBMAIAWVBW-KDKNCOTBSA-N

SMILES

N(C(C)=O)[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](CO)O[C@H]1OC3=CC=C(N(=O)=O)C=C3

Canonical SMILES

O=C(NC1C(OC2=CC=C(C=C2)N(=O)=O)OC(CO)C(O)C1OC3OC(CO)C(O)C(O)C3O)C

Other Names for this Substance

  • β-D-Glucopyranoside, 4-nitrophenyl 2-(acetylamino)-2-deoxy-3-O-β-D-galactopyranosyl-
  • 4-Nitrophenyl 2-(acetylamino)-2-deoxy-3-O-β-D-galactopyranosyl-β-D-glucopyranoside
  • PNP-Lac-N-bioside
  • PNP-Lacto-N-bioside

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