β-D-Galactopyranose, O-(N-acetyl-α-neuraminosyl)-(2→3)-O-β-D-galactopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→3)-O-[β-D-glucopyranosyl-(1→4)]-

CAS Registry Number®

84280-28-4

CAS Name

β-D-Galactopyranose, O-(N-acetyl-α-neuraminosyl)-(2→3)-O-β-D-galactopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→3)-O-[β-D-glucopyranosyl-(1→4)]-

Molecular Formula

C37H62N2O29

Molecular Mass

998.88

Cite this Page

β-D-Galactopyranose, O-(N-acetyl-α-neuraminosyl)-(2→3)-O-β-D-galactopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→3)-O-[β-D-glucopyranosyl-(1→4)]-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=84280-28-4 (retrieved 2024-11-25) (CAS RN: 84280-28-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

SMILES

O([C@@]1(C(O)=O)O[C@@]([C@@H]([C@@H](CO)O)O)([C@H](NC(C)=O)[C@@H](O)C1)[H])[C@@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](CO)O[C@@H](O[C@H]4[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](CO)O[C@@H](O)[C@@H]4O)[C@H](NC(C)=O)[C@H]3O)O[C@H](CO)[C@@H]2O

Canonical SMILES

O=C(O)C1(OC2C(O)C(OC(CO)C2O)OC3C(O)C(NC(=O)C)C(OC3CO)OC4C(O)C(O)OC(CO)C4OC5OC(CO)C(O)C(O)C5O)OC(C(O)C(O)CO)C(NC(=O)C)C(O)C1

Other Names for this Substance

  • β-D-Galactopyranose, O-(N-acetyl-α-neuraminosyl)-(2→3)-O-β-D-galactopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→3)-O-[β-D-glucopyranosyl-(1→4)]-

CAS INSIGHTSTM
Hourglass and a clock