compound 16a [Sharratt et al., 1994]

Ligand id: 3107

Name: compound 16a [Sharratt et al., 1994]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 15
Hydrogen bond donors 5
Rotatable bonds 21
Topological polar surface area 246.28
Molecular weight 705.3
XLogP 5.55
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S,4R,5S,6S)-2-[(4S,5R)-4-(acetyloxy)-5-benzyl-3-methylidenehexyl]-2-carbamoyl-4-({[(2E,4S,6S)-4,6-dimethyloct-2-enoyl]oxy}methyl)-5-hydroxy-1,3-dioxane-4,5,6-tricarboxylic acid
Database Links
ChEMBL Ligand CHEMBL160176
PubChem CID 44373472
Search Google for chemical match using the InChIKey TWYYFYNJOJGNFP-CUXYNZQBSA-N
Search Google for chemicals with the same backbone TWYYFYNJOJGNFP
Search UniChem for chemical match using the InChIKey TWYYFYNJOJGNFP-CUXYNZQBSA-N
Search UniChem for chemicals with the same backbone TWYYFYNJOJGNFP