aceneuramic acid Report issue

Small molecule Experimental
AACT ChEMBL DrugBank

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Chemistry

Mol. Mass

309.27

ALogP

-4.03

Rule of 5

No

Rule of 3

No
Details
  • 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=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
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2105945   ChEMBL
aceneuramic acid

N-Acetylneuraminic acid   Wikipedia

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