L659989   

GtoPdb Ligand ID: 3426

Synonyms: L-659,989 | L-659989
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 10
Topological polar surface area 97.9
Molecular weight 480.18
XLogP 3.76
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CCCOc1c(OC)cc(cc1S(=O)(=O)C)C1CCC(O1)c1cc(OC)c(c(c1)OC)OC
Isomeric SMILES CCCOc1c(OC)cc(cc1S(=O)(=O)C)[C@@H]1CC[C@H](O1)c1cc(OC)c(c(c1)OC)OC
InChI InChI=1S/C24H32O8S/c1-7-10-31-24-21(29-4)13-16(14-22(24)33(6,25)26)18-9-8-17(32-18)15-11-19(27-2)23(30-5)20(12-15)28-3/h11-14,17-18H,7-10H2,1-6H3/t17-,18-/m0/s1
InChI Key NZWPFJNQOZFEDT-ROUUACIJSA-N
Classification
Compound class Synthetic organic
IUPAC Name
(2S,5S)-2-(3-methoxy-5-methylsulfonyl-4-propoxyphenyl)-5-(3,4,5-trimethoxyphenyl)oxolane
Synonyms
L-659,989 | L-659989
Database Links
CAS Registry No. 113787-28-3 (source: Scifinder)
GtoPdb PubChem SID 178100430
PubChem CID 9934870
Search Google for chemical match using the InChIKey NZWPFJNQOZFEDT-ROUUACIJSA-N
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Search UniChem for chemical match using the InChIKey NZWPFJNQOZFEDT-ROUUACIJSA-N
Search UniChem for chemicals with the same backbone NZWPFJNQOZFEDT