8-deoxy-neodysiherbaine

Ligand id: 4112

Name: 8-deoxy-neodysiherbaine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 146.59
Molecular weight 274.09
XLogP -2.66
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2R,6S)-2-[(2S)-2-azaniumyl-2-carboxylatoethyl]-6-hydroxy-hexahydro-2H-furo[3,2-b]pyran-2-carboxylate
Synonyms
8-deoxy-neoDH
Database Links
GtoPdb PubChem SID 178100934
PubChem CID 73755079
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