compound 6c [PMID: 7966163]

Ligand id: 3083

Name: compound 6c [PMID: 7966163]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 13
Hydrogen bond donors 5
Rotatable bonds 24
Topological polar surface area 206.35
Molecular weight 706.36
XLogP 5.94
No. Lipinski's rules broken 3

Molecular properties generated using the CDK
Classification
Compound class Synthetic organic
IUPAC Name
(6R,7R)-1-[(4S,5R)-4-(acetyloxy)-5-benzyl-3-methylidenehexyl]-6-(dodecyloxy)-4,7-dihydroxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid
Database Links
ChEMBL Ligand CHEMBL436588
GtoPdb PubChem SID 135649857
PubChem CID 44352782
Search Google for chemical match using the InChIKey VGNCBRNRHXEODV-XXVHXNRLSA-N
Search Google for chemicals with the same backbone VGNCBRNRHXEODV
Search UniChem for chemical match using the InChIKey VGNCBRNRHXEODV-XXVHXNRLSA-N
Search UniChem for chemicals with the same backbone VGNCBRNRHXEODV