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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP019204

[(E)-2-cyano-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-2-enyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Formula: C21H25NO10  |  Mol. Weight: 451.40 g/mol

IUPAC: [(E)-2-cyano-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-2-enyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Overview

Molecular Formula C21H25NO10
Molecular Weight 451.40 g/mol
Canonical SMILES COC1=C(C=CC(=C1)C=CC(=O)OCC(=CCOC2C(C(C(C(O2)CO)O)O)O)C#N)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy