4-Nitrophenyl O-(N-acetyl-α-neuraminosyl)-(2→6)-O-β-D-galactopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-β-D-glucopyranoside

CAS Registry Number®

501427-93-6
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CAS Name

4-Nitrophenyl O-(N-acetyl-α-neuraminosyl)-(2→6)-O-β-D-galactopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-β-D-glucopyranoside

Molecular Formula

C31H45N3O21

Molecular Mass

795.70

Cite this Page

4-Nitrophenyl O-(N-acetyl-α-neuraminosyl)-(2→6)-O-β-D-galactopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-β-D-glucopyranoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=501427-93-6 (retrieved 2024-07-02) (CAS RN: 501427-93-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C31H45N3O21/c1-11(37)32-19-15(39)7-31(30(46)47,55-27(19)21(41)16(40)8-35)50-10-18-22(42)24(44)25(45)29(53-18)54-26-17(9-36)52-28(20(23(26)43)33-12(2)38)51-14-5-3-13(4-6-14)34(48)49/h3-6,15-29,35-36,39-45H,7-10H2,1-2H3,(H,32,37)(H,33,38)(H,46,47)/t15-,16+,17+,18+,19+,20+,21+,22-,23+,24-,25+,26+,27+,28+,29-,31+/m0/s1

InChIKey

InChIKey=TVDCKIMQUNLKLE-KOLSOZNPSA-N

SMILES

O(C[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](OC3=CC=C(N(=O)=O)C=C3)[C@H](NC(C)=O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O)[C@@]4(C(O)=O)O[C@@]([C@@H]([C@@H](CO)O)O)([C@H](NC(C)=O)[C@@H](O)C4)[H]

Canonical SMILES

O=C(O)C1(OCC2OC(OC3C(O)C(NC(=O)C)C(OC4=CC=C(C=C4)N(=O)=O)OC3CO)C(O)C(O)C2O)OC(C(O)C(O)CO)C(NC(=O)C)C(O)C1

Other Names for this Substance

  • β-D-Glucopyranoside, 4-nitrophenyl O-(N-acetyl-α-neuraminosyl)-(2→6)-O-β-D-galactopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-
  • 4-Nitrophenyl O-(N-acetyl-α-neuraminosyl)-(2→6)-O-β-D-galactopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-β-D-glucopyranoside