β-Neuraminic acid, N-acetyl-, methyl ester, hydrate (1:1)
CAS Registry Number®
50998-13-5
No image available.
CAS Name
β-Neuraminic acid, N-acetyl-, methyl ester, hydrate (1:1)Molecular Formula
C12H21NO9.H2OCite 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/ChemicalDetail.aspx?ref=50998-13-5 (retrieved ) (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
