O-(N-Acetyl-α-neuraminosyl)-(2→6)-O-β-D-galactopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→3)-O-β-D-galactopyranosyl-(1→4)-β-D-glucopyranose

CAS Registry Number®

138290-74-1

CAS Name

O-(N-Acetyl-α-neuraminosyl)-(2→6)-O-β-D-galactopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→3)-O-β-D-galactopyranosyl-(1→4)-β-D-glucopyranose

Molecular Formula

C37H62N2O29

Molecular Mass

998.88

Cite this Page

O-(N-Acetyl-α-neuraminosyl)-(2→6)-O-β-D-galactopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→3)-O-β-D-galactopyranosyl-(1→4)-β-D-glucopyranose.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=138290-74-1 (retrieved 2024-11-25) (CAS RN: 138290-74-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C37H62N2O29/c1-9(44)38-17-11(46)3-37(36(58)59,68-30(17)19(48)12(47)4-40)60-8-16-20(49)23(52)26(55)34(64-16)65-28-15(7-43)63-33(18(22(28)51)39-10(2)45)67-31-21(50)13(5-41)62-35(27(31)56)66-29-14(6-42)61-32(57)25(54)24(29)53/h11-35,40-43,46-57H,3-8H2,1-2H3,(H,38,44)(H,39,45)(H,58,59)/t11-,12+,13+,14+,15+,16+,17+,18+,19+,20-,21-,22+,23-,24+,25+,26+,27+,28+,29+,30+,31-,32+,33-,34-,35-,37+/m0/s1

InChIKey

InChIKey=LZIAPCWNARELDV-UJXCPGFOSA-N

SMILES

O(C[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](O[C@@H]4[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]4O)O[C@H](CO)[C@@H]3O)[C@H](NC(C)=O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O)[C@@]5(C(O)=O)O[C@@]([C@@H]([C@@H](CO)O)O)([C@H](NC(C)=O)[C@@H](O)C5)[H]

Canonical SMILES

O=C(O)C1(OCC2OC(OC3C(O)C(NC(=O)C)C(OC3CO)OC4C(O)C(OC(CO)C4O)OC5C(O)C(O)C(O)OC5CO)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-Glucopyranose, O-(N-acetyl-α-neuraminosyl)-(2→6)-O-β-D-galactopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→3)-O-β-D-galactopyranosyl-(1→4)-
  • O-(N-Acetyl-α-neuraminosyl)-(2→6)-O-β-D-galactopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→3)-O-β-D-galactopyranosyl-(1→4)-β-D-glucopyranose

CAS INSIGHTSTM
Hourglass and a clock