N-Acetyl-8-O-(N-acetyl-α-neuraminosyl)-β-neuraminic acid

CAS Registry Number®

131696-33-8

CAS Name

N-Acetyl-8-O-(N-acetyl-α-neuraminosyl)-β-neuraminic acid

Molecular Formula

C22H36N2O17

Molecular Mass

600.52

Cite this Page

N-Acetyl-8-O-(N-acetyl-α-neuraminosyl)-β-neuraminic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=131696-33-8 (retrieved 2024-11-05) (CAS RN: 131696-33-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H36N2O17/c1-7(27)23-13-9(29)3-21(38,19(34)35)40-18(13)16(33)12(6-26)39-22(20(36)37)4-10(30)14(24-8(2)28)17(41-22)15(32)11(31)5-25/h9-18,25-26,29-33,38H,3-6H2,1-2H3,(H,23,27)(H,24,28)(H,34,35)(H,36,37)/t9-,10-,11+,12+,13+,14+,15+,16+,17+,18+,21-,22+/m0/s1

InChIKey

InChIKey=LWXBZLHHWJUOSV-CWRSNZJLSA-N

SMILES

O([C@@H]([C@@H](O)[C@]1([C@H](NC(C)=O)[C@@H](O)C[C@](C(O)=O)(O)O1)[H])CO)[C@@]2(C(O)=O)O[C@@]([C@@H]([C@@H](CO)O)O)([C@H](NC(C)=O)[C@@H](O)C2)[H]

Canonical SMILES

O=C(O)C1(O)OC(C(O)C(OC2(OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)C(=O)O)CO)C(NC(=O)C)C(O)C1

Other Names for this Substance

  • β-Neuraminic acid, N-acetyl-8-O-(N-acetyl-α-neuraminosyl)-
  • D-glycero-β-D-galacto-2-Nonulopyranosonic acid, 5-(acetylamino)-8-O-(N-acetyl-α-neuraminosyl)-3,5-dideoxy-
  • N-Acetyl-8-O-(N-acetyl-α-neuraminosyl)-β-neuraminic acid

CAS INSIGHTSTM
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