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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009125

[(E)-1-cyano-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyprop-1-enyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Formula: C20H23NO10  |  Mol. Weight: 437.40 g/mol

IUPAC: [(E)-1-cyano-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyprop-1-enyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Overview

Molecular Formula C20H23NO10
Molecular Weight 437.40 g/mol
Canonical SMILES COC1=C(C=CC(=C1)C=CC(=O)OC(=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