CMP-sialic acid

Ligand id: 4663

Name: CMP-sialic acid

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 20
Hydrogen bond donors 11
Rotatable bonds 12
Topological polar surface area 330.17
Molecular weight 615.16
XLogP -6.06
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
(2R,4S,5R,6R)-2-[({[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Database Links
CAS Registry No. 3063-71-6 (source: Scifinder)
ChEBI CHEBI:16556
Human Metabolome Database HMDB01176
PubChem CID 448209
RCSB PDB Ligand NCC
Search Google for chemical match using the InChIKey TXCIAUNLDRJGJZ-BILDWYJOSA-N
Search Google for chemicals with the same backbone TXCIAUNLDRJGJZ