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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP015483

(2s,3s,4r,8z)-1-O-(beta-d-glucopyranosyl)-2-[(r)-2'-hydroxydocosanoyl]amino-8-octadecene-1,3,4-triol

Formula: C46H89NO10  |  Mol. Weight: 816.20 g/mol

IUPAC: (2R)-N-[(Z,2S,3S,4R)-3,4-dihydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-8-en-2-yl]-2-hydroxydocosanamide

Overview

Molecular Formula C46H89NO10
Molecular Weight 816.20 g/mol
Canonical SMILES CCCCCCCCCCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C(CCCC=CCCCCCCCCC)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy