(2R,3R,4R,5S)-4,5-Dihydroxy-2-(hydroxymethyl)-3-piperidinyl alpha-D-glucopyranoside

HCID 11324809

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Basic information

CAS: 80312-32-9
Standard SMILES: OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIKey: GNVIYGFSOIHFHK-NIKVEEOSSA-N
Molecular formula: C12H23NO9
Average molar mass: 325.31 g/mol
Monoisotopic mass: 325.13728131

Overview

4-O-alpha-D-glucopyranosylmoranoline is a monosaccharide derivative that is (2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol having an alpha-D-glucosyl residue attached at position 4. It has a role as a metabolite. It is an alpha-D-glucoside and a monosaccharide derivative. It is functionally related to an alpha-D-glucose and a duvoglustat.

Names & identifiers

Preferred name: (2R,3R,4R,5S)-4,5-Dihydroxy-2-(hydroxymethyl)-3-piperidinyl alpha-D-glucopyranoside
IUPAC: (2S,3R,4S,5S,6R)-2-[(2R,3R,4R,5S)-4,5-dihydroxy-2-(hydroxymethyl)piperidin-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Names & synonyms

80312-32-9DTXSID701135748(2R,3R,4R,5S)-4,5-Dihydroxy-2-(hydroxymethyl)-3-piperidinyl alpha-D-glucopyranosideRefChem:934712DTXCID4015673704-O-a-D-GlucopyranosylmoranolineGlucopyranosylmoranoline(2S,3R,4S,5S,6R)-2-[(2R,3R,4R,5S)-4,5-dihydroxy-2-(hydroxymethyl)piperidin-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triolalpha-D-glucopyranosyl-(1->4)-1-deoxynojirimycin(2R,3R,4R,5S)-4,5-dihydroxy-2-(hydroxymethyl)piperidin-3-yl alpha-D-glucopyranosideCHEBI:707364-O-?-D-Glucopyranosylmoranoline

Show more names

(2S,3R,4S,5S,6R)-2-{[(2R,3R,4R,5S)-4,5-dihydroxy-2-(hydroxymethyl)piperidin-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolQ27139052(2R,3R,4R,5S)-4,5-Dihydroxy-2-(hydroxymethyl)-3-piperidinyl I+/--D-glucopyranoside(2S,3R,4S,5S,6R)-2-(((2R,3R,4R,5S)-4,5-Dihydroxy-2-(hydroxymethyl)piperidin-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol

Database identifiers

CAS: 80312-32-9
PubChem CID

Properties

Computed structural properties

XLogP: -4.5
Topological polar surface area: 172 Å²
Hydrogen bond donors: 8
Hydrogen bond acceptors: 10
Rotatable bonds: 4
Heavy atoms: 22
Formal charge: 0
Complexity: 359

Experimental & physicochemical properties

Physical DescriptionSolid

Related reactions

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Compound notes

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