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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP014164

dimethyl (1S,4aS,5S,6R,7R,7aS)-5,6-dihydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4,7-dicarboxylate

Formula: C18H26O13  |  Mol. Weight: 450.40 g/mol

IUPAC: dimethyl (1S,4aS,5S,6R,7R,7aS)-5,6-dihydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4,7-dicarboxylate

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Overview

Molecular Formula C18H26O13
Molecular Weight 450.40 g/mol
Canonical SMILES COC(=O)C1C2C(C(C1O)O)C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy