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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP016222

2-[4-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyphenyl]acetonitrile

Formula: C20H27NO10  |  Mol. Weight: 441.40 g/mol

IUPAC: 2-[4-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyphenyl]acetonitrile

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Overview

Molecular Formula C20H27NO10
Molecular Weight 441.40 g/mol
Canonical SMILES CC1C(C(C(C(O1)OC2=CC=C(C=C2)CC#N)O)OC3C(C(C(C(O3)CO)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy