Basic information
- CAS
6092-24-6- Standard SMILES
COc1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O- InChIKey
WBZPEZUBVIAKKS-UJPOAAIJSA-N- Molecular formula
- C13H18O7
- Average molar mass
- 286.28 g/mol
- Monoisotopic mass
- 286.10525291
Overview
See also: 2-Methoxyphenyl beta-D-glucopyranoside (annotation moved to).
Names & identifiers
- Preferred name
- (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(2-methoxyphenoxy)oxane-3,4,5-triol
- IUPAC
- (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(2-methoxyphenoxy)oxane-3,4,5-triol
- English name
- (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(2-methoxyphenoxy)oxane-3,4,5-triol
- Molecular formula
- C13H18O7
- Molecular weight
- 286.27782
Names & synonyms
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(2-methoxyphenoxy)oxane-3,4,5-triolRefChem:1049894Guaiacol-beta-glucoside6092-24-6Guaiacol-b-D-glucopyranoside2-methoxyphenyl beta-d-glucopyranosideGuaiacol-Beta-D-glucopyranosideGuaiacol beta-glucoside2-Methoxyphenyl-beta-D-glucopyranosideGuaiacol glucosideo-Methoxyphenyl beta-D-glucopyranoside; 2-Methoxyphenyl beta-D-glucopyranoside;beta-D-Glucopyranoside, 2-methoxyphenyl-
Show more names
Guaiacol-β-D-glucopyranosideβ-D-Glucopyranoside, 2-methoxyphenyl
SCHEMBL10307314DTXSID70976389guaiacol O-beta-D-glucopyranoside2-Methoxyphenyl-O-?-D-glucopyranosideXG182727(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(2-methoxyphenoxy)tetrahydropyran-3,4,5-triol
Database identifiers
- CAS
6092-24-6
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 300
Experimental & physicochemical properties
LogP-1.04
Physicochemical properties
- Melting point
- 145 · 145 - 147 °C
- Boiling point
- 496.5 · 496.5±45.0 °C(Predicted)
- Density
- 1.427 · 1.427±0.06 g/cm3(Predicted)
- storage temp.
- Hygroscopic, Refrigerator, under inert atmosphere
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 12.83 · 12.83±0.70(Predicted)
- color
- White to Off-White
- Stability
- Hygroscopic
Chemistry & industry
Applications
UsesGuaiacol-beta-D-glucopyranoside, is a Guaiacol Conjugate, that has shown to present in fermentation of grapes that had been exposed to bushfire smoke and can potentially yield unpalatable, smoke-affected wine.
Suppliers3 total
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
广州麦克斯药物研究有限公司13405898415 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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