chempirical

N-Glycolylneuraminic acid

C11H19NO10CAS 1113-83-3325.27 g/mol

Open in Covalent MOL file
OHOOOHNHOHOOHOHOHOH
AlcoholCarboxylic acidKetone

Properties

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

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

Weigh it out

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

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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