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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP017462

(2R,3R,4S,5S,6R)-2-(((E)-4-((9-((2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-9H-purin-6-yl)amino)-2-methylbut-2-en-1-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol

Formula: C21H31N5O10  |  Mol. Weight: 513.50 g/mol

IUPAC: (2R,3R,4S,5S,6R)-2-[(E)-4-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]-2-methylbut-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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Overview

Molecular Formula C21H31N5O10
Molecular Weight 513.50 g/mol
Canonical SMILES CC(=CCNC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)CO)O)O)COC4C(C(C(C(O4)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy