3,5-Dihydroxyphenyl beta-D-glucopyranoside
Basic information
- CAS
28217-60-9- Standard SMILES
OC[C@H]1O[C@@H](Oc2cc(O)cc(O)c2)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
WXTPOHDTGNYFSB-RMPHRYRLSA-N- Molecular formula
- C12H16O8
- Average molar mass
- 288.25 g/mol
- Monoisotopic mass
- 288.08451746
Overview
(2S,3R,4S,5S,6R)-2-(3,5-dihydroxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol has been reported in Citrus reticulata, Sedum crassularia, and other organisms with data available.
Names & identifiers
- Preferred name
- 3,5-Dihydroxyphenyl beta-D-glucopyranoside
- IUPAC
- (2S,3R,4S,5S,6R)-2-(3,5-dihydroxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
- English name
- Phlorin
- Molecular formula
- C12H16O8
- Molecular weight
- 288.25
Names & synonyms
28217-60-93,5-Dihydroxyphenyl beta-D-glucopyranosideRefChem:271799(2S,3R,4S,5S,6R)-2-(3,5-dihydroxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triolPhloroglucinol |?-D-glucosideorb1681095SCHEMBL8657183DTXSID901279756HY-N3079TN5638AKOS032948575FS-9709
Show more names
Phlorin StandardPhloroglucinol 1-O-β-D-glucosidePhloroglucinol 1-O-beta-D-glucosideβ-D-Glucopyranoside, 3,5-dihydroxyphenyl
phloroglucinol 1-beta-d-glucopyranoside3,5-Dihydroxyphenyl I(2)-D-glucopyranosideCS-0023174Phloroglucinol-1-O-.beta.-D-glucopyranosidePhloroglucinol 1-O--D-glucopyranoside; Phloroglucinol 1-O--D-glucoside(2S,3R,4S,5S,6R)-2-(3,5-dihydroxyphenoxy)-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
Database identifiers
- CAS
28217-60-9- PubChem CID
- 476785
- DTXSID
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 304
Physicochemical properties
- Melting point
- 236 · 236-238 °C
- Boiling point
- 598.8 · 598.8±50.0 °C(Predicted)
- Density
- 1.662 · 1.662±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 8.93 · 8.93±0.10(Predicted)
- form
- solid
- InChI
- 1S/C12H16O8/c13-4-8-9(16)10(17)11(18)12(20-8)19-7-2-5(14)1-6(15)3-7/h1-3,8-18H,4H2/t8-,9-,10+,11-,12-/m1/s1
- InChIKey
- WXTPOHDTGNYFSB-RMPHRYRLSA-N
- SMILES
- OC1=CC(O)=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C1
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesPhlorin (Phloroglucinol β-D-glucoside) is a phloroglucinol (PG) glucoside[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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