N-Acetylneuraminic acid

C11H19NO9CAS 131-48-6309.27 g/mol

Open in Covalent MOL file
OHNOHOHOHHOOHOOOH
AlcoholCarboxylic acidKetone

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 Ų
H-bond donors / acceptors
7 / 8
Rotatable bonds
9
Stereocentres
R, R, S, R, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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

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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 Zanamivir139110-80-845 % similar N-Acetyl-α-D-glucosamine10036-64-343 % similar N-Acetyl-α-D-galactosamine14215-68-043 % similar N-Acetylmannosamine7772-94-343 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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