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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP008567

sodium;(1R,2S,3R,5R,6S,8S)-2-(benzoyloxymethyl)-8-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decane-6-sulfonate

Formula: C23H27NaO13S  |  Mol. Weight: 566.50 g/mol

IUPAC: sodium;(1R,2S,3R,5R,6S,8S)-2-(benzoyloxymethyl)-8-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decane-6-sulfonate

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Overview

Molecular Formula C23H27NaO13S
Molecular Weight 566.50 g/mol
Canonical SMILES CC12CC3(C4CC1(C4(C(O2)O3)COC(=O)C5=CC=CC=C5)OC6C(C(C(C(O6)CO)O)O)O)S(=O)(=O)[O-].[Na+]

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy