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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP029934

2-Cyclopentene-1-carbonitrile, 1-(I(2)-D-glucopyranosyloxy)-4-(sulfooxy)-, (1S,4R)-

Formula: C12H17NO10S  |  Mol. Weight: 367.33 g/mol

IUPAC: [(1S,4S)-4-cyano-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclopent-2-en-1-yl] hydrogen sulfate

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Overview

Molecular Formula C12H17NO10S
Molecular Weight 367.33 g/mol
Canonical SMILES C1C(C=CC1(C#N)OC2C(C(C(C(O2)CO)O)O)O)OS(=O)(=O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy