(1R)-1-(beta-D-Glucopyranosyloxy)-2-cyclopentene-1-carbonitrile

HCID 73604

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Basic information

CAS: 88824-26-4
Standard SMILES: N#C[C@]1(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=CCC1
InChIKey: HBCFZAXOSTUEHA-ZSOJELSESA-N
Molecular formula: C12H17NO6
Average molar mass: 271.27 g/mol
Monoisotopic mass: 271.10558726

Overview

Deidaclin is a cyanogenic glycoside.

Names & identifiers

Preferred name: (1R)-1-(beta-D-Glucopyranosyloxy)-2-cyclopentene-1-carbonitrile
IUPAC: (1R)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclopent-2-ene-1-carbonitrile

Names & synonyms

Deidaclin88824-26-4(1R)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclopent-2-ene-1-carbonitrileDTXSID801187061(1R)-1-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxycyclopent-2-ene-1-carbonitrileRefChem:1049406DTXCID101618354(1R)-1-(beta-D-Glucopyranosyloxy)-2-cyclopentene-1-carbonitrileNSC 370273AC1L2K5MAC1Q4Q3TCHEBI:4373

Show more names

Tetraphyllin A Deidaclin (Kcs-4ca)C08329Q27106359(1R)-1-(beta-D-glucopyranosyloxy)cyclopent-2-ene-1-carbonitrile(1R)-1-(I(2)-D-Glucopyranosyloxy)-2-cyclopentene-1-carbonitrile2-Cyclopentene-1-carbonitrile, 1-(.beta.-D-glucopyranosyloxy)-, (1R)-

Database identifiers

CAS: 88824-26-4
PubChem CID: 73604
DTXSID: DTXSID801187061
ChEBI: CHEBI:4373
Nikkaji: J766.984D

Properties

Computed structural properties

XLogP: -1.2
Topological polar surface area: 123 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 7
Rotatable bonds: 3
Heavy atoms: 19
Formal charge: 0
Complexity: 404

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Compound notes

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