β-Neuraminic acid, N-acetyl-, methyl ester, hydrate (1:1)

CAS Registry Number®

50998-13-5

CAS Name

β-Neuraminic acid, N-acetyl-, methyl ester, hydrate (1:1)

Molecular Formula

C12H21NO9.H2O

Cite this Page

β-Neuraminic acid, N-acetyl-, methyl ester, hydrate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=50998-13-5 (retrieved 2024-11-25) (CAS RN: 50998-13-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H21NO9.H2O/c1-5(15)13-8-6(16)3-12(20,11(19)21-2)22-10(8)9(18)7(17)4-14;/h6-10,14,16-18,20H,3-4H2,1-2H3,(H,13,15);1H2/t6-,7+,8+,9+,10+,12-;/m0./s1

InChIKey

InChIKey=UIUNVNKHJXXRLV-JYMIJESRSA-N

SMILES

[C@H]([C@@H](CO)O)(O)[C@]1([C@H](NC(C)=O)[C@@H](O)C[C@](C(OC)=O)(O)O1)[H].O

Canonical SMILES

O=C(NC1C(O)CC(O)(OC1C(O)C(O)CO)C(=O)OC)C.O

Other Names for this Substance

  • β-Neuraminic acid, N-acetyl-, methyl ester, hydrate (1:1)
  • D-glycero-β-D-galacto-2-Nonulopyranosonic acid, 5-(acetylamino)-3,5-dideoxy-, methyl ester, monohydrate
  • β-Neuraminic acid, N-acetyl-, methyl ester, monohydrate
  • N-Acetyl-β-neuraminic acid methyl ester monohydrate

CAS INSIGHTSTM
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