(2S,3R,4S,5S,6R)-2-(3,5-dihydroxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

Base Information

• Chemical Name: (2S,3R,4S,5S,6R)-2-(3,5-dihydroxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
• CAS No.: 28217-60-9
• Molecular Formula: C12H16 O8
• Molecular Weight: 288.254
• Wikidata: Q105314923
• Mol file: 28217-60-9.mol

Synonyms:2-(3,5-DIHYDROXYPHENOXY)-6-(HYDROXYMETHYL)OXANE-3,4,5-TRIOL;(2S,3R,4S,5S,6R)-2-(3,5-dihydroxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol;Phloroglucinol 1-O-beta-D-glucopyranoside;Phloroglucinol 1-O-beta-D-glucoside;CID 476785

Chemical Property of (2S,3R,4S,5S,6R)-2-(3,5-dihydroxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

Chemical Property:

• Vapor Pressure: 6.48E-22mmHg at 25°C
• Melting Point: 228 °C
• Boiling Point: 598.8±50.0 °C(Predicted)
• PKA: 8.93±0.10(Predicted)
• PSA: 139.84000
• Density: 1.662±0.06 g/cm3(Predicted)
• LogP: -1.72350
• XLogP3: -1.2
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 288.08451746
• Heavy Atom Count: 20
• Complexity: 304

Purity/Quality:

99% ^*data from raw suppliers

Phlorin phyproof?ReferenceSubstance ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1O)OC2C(C(C(C(O2)CO)O)O)O)O

Technology Process of (2S,3R,4S,5S,6R)-2-(3,5-dihydroxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

There total 2 articles about (2S,3R,4S,5S,6R)-2-(3,5-dihydroxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

6-galloyl-1-O-(phloroglucinol)-glucopyranose (94356-21-5) → 3,4,5-trihydroxybenzoic acid (149-91-7) + 1-β-D-glucopyranosyloxy-3,5-dihydroxybenzene (28217-60-9)

Guidance literature:

With tannase; water; for 0.5h; Ambient temperature;

Reference yield:

→ 2-(3,5-Dihydroxy-phenoxy)-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol (6736-49-8,28217-60-9)

Guidance literature:

Glucinol, m-Xylol, Glucopyranosylbromid III;

Reference yield:

1-β-D-glucopyranosyloxy-3,5-dihydroxybenzene (28217-60-9) + benzoyl chloride (98-88-4) → (-)-phlorin hexabenzoate

Guidance literature:

With pyridine;

DOI:10.1055/s-2006-958086

upstream raw materials:

6-galloyl-1-O-(phloroglucinol)-glucopyranose

Refernces