N-Acetylneuraminic acid

C₁₁H₁₉NO₉CAS 131-48-6309.27 g/mol

Open in Covalent MOL file

Alcohol Carboxylic acid Ketone

Properties

Molecular formula: C₁₁H₁₉NO₉
Molar mass: 309.27 g/mol
Exact mass: 309.1060 Da
Melting point: 182–185 °C (decomposes)
logP: -3.19Crippen estimate
Polar surface area: 188.1 Å²
H-bond donors / acceptors: 7 / 8
Rotatable bonds: 9
Stereocentres: R, R, S, R, Sin SMILES atom order

Identifiers

CAS number

131-48-6

SMILES

CC(O)=N[C@@H]([C@@H](O)[C@H](O)[C@H](O)CO)[C@@H](O)CC(=O)C(=O)O

InChIKey

KBGAYAKRZNYFFG-BOHATCBPSA-N

InChI

InChI=1S/C11H19NO9/c1-4(14)12-8(5(15)2-6(16)11(20)21)10(19)9(18)7(17)3-13/h5,7-10,13,15,17-19H,2-3H2,1H3,(H,12,14)(H,20,21)/t5-,7+,8+,9+,10+/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

13 names · show all

Neuraminic acid, N-acetyl-
D-Glycero-D-galacto-Nonulosonic acid, 5-acetamido-3,5-dideoxy-
Lactaminic acid
D-Glycero-D-galacto-2-Nonulosonic acid, 5-(acetylamino)-3,5-dideoxy-
Acetylneuraminic acid
NANA
N-Acetyl-D-neuraminic acid
5-N-Acetyl-D-neuraminic acid
Aceneuramic acid
N-Acetylneuramic acid
N-Acetylsialic acid
5-N-Acetylneuraminic acid
UX 001

Work with N-Acetylneuraminic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N-Glycolylneuraminic acid1113-83-370 % similar N-Acetylgalactosamine1811-31-051 % similar N-Acetylglucosamine7512-17-651 % similar Acetylglucosamine98632-70-351 % similar N-Acetyl-α-D-galactosamine14215-68-043 % similar N-Acetylmannosamine7772-94-343 % similar N-Acetylmuramic acid10597-89-442 % similar N-Acetyl-β-neuraminic acid methyl ester monohydrate50998-13-542 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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