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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP012038

(2R,3R,4S,5S,6R)-2-[(1S,2R)-1,5-bis(3,4-dimethoxyphenyl)-1-methoxypent-4-yn-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Formula: C28H36O11  |  Mol. Weight: 548.60 g/mol

IUPAC: (2R,3R,4S,5S,6R)-2-[(1S,2R)-1,5-bis(3,4-dimethoxyphenyl)-1-methoxypent-4-yn-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Overview

Molecular Formula C28H36O11
Molecular Weight 548.60 g/mol
Canonical SMILES COC1=C(C=C(C=C1)C#CCC(C(C2=CC(=C(C=C2)OC)OC)OC)OC3C(C(C(C(O3)CO)O)O)O)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy