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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP004513

methyl (1S,4aS,7S,7aR)-7-(hydroxymethyl)-5-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate

Formula: C17H24O11  |  Mol. Weight: 404.40 g/mol

IUPAC: methyl (1S,4aS,7S,7aR)-7-(hydroxymethyl)-5-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate

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Overview

Molecular Formula C17H24O11
Molecular Weight 404.40 g/mol
Canonical SMILES COC(=O)C1=COC(C2C1C(=O)CC2CO)OC3C(C(C(C(O3)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy