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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP018172

[(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (2S)-2-amino-3-(4-hydroxyphenyl)propanoate

Formula: C21H31NO13  |  Mol. Weight: 505.50 g/mol

IUPAC: [(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (2S)-2-amino-3-(4-hydroxyphenyl)propanoate

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Overview

Molecular Formula C21H31NO13
Molecular Weight 505.50 g/mol
Canonical SMILES C1=CC(=CC=C1CC(C(=O)OC2C(C(C(OC2OC3(C(C(C(O3)CO)O)O)CO)CO)O)O)N)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy