N-Glycolylneuraminic acid

C₁₁H₁₉NO₁₀CAS 1113-83-3325.27 g/mol

Open in Covalent MOL file

Alcohol Carboxylic acid Ketone

Properties

Molecular formula: C₁₁H₁₉NO₁₀
Molar mass: 325.27 g/mol
Exact mass: 325.1009 Da
logP: -4.22Crippen estimate
Polar surface area: 208.3 Å²
H-bond donors / acceptors: 8 / 9
Rotatable bonds: 10
Stereocentres: S, R, R, S, Rin 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

1113-83-3

SMILES

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

InChIKey

SUHQNCLNRUAGOO-KQCZLNONSA-N

InChI

InChI=1S/C11H19NO10/c13-2-6(17)9(19)10(20)8(12-7(18)3-14)4(15)1-5(16)11(21)22/h4,6,8-10,13-15,17,19-20H,1-3H2,(H,12,18)(H,21,22)/t4-,6+,8+,9+,10+/m0/s1

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Names and synonyms

10 names

Neuraminic acid, N-(2-hydroxyacetyl)-
D-Glycero-D-galacto-Nonulosonic acid, 3,5-dideoxy-5-glycolamido-
D-Glycero-D-galacto-2-Nonulosonic acid, 3,5-dideoxy-5-[(hydroxyacetyl)amino]-
Neuraminic acid, N-(hydroxyacetyl)-
Neuraminic acid, N-glycolyl-
N-(2-Hydroxyacetyl)neuraminic acid
N-Glycoloylneuraminic acid
Glycolylneuraminic acid
Neu5gc
5-N-Glycolyl neuraminic acid

Work with N-Glycolylneuraminic 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-Acetylneuraminic acid131-48-670 % similar Gluconic acid526-95-442 % similar D-Glucosaminic acid3646-68-240 % similar Alpha-ketoisocaproic acid816-66-039 % similar D-Sorbose3615-56-338 % similar Psicose551-68-838 % similar Fructose57-48-738 % similar L-Fructose7776-48-938 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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