Turgorin

Base Information

Chemical Name:Turgorin
CAS No.:80220-30-0
Molecular Formula:C13H15O13S-
Molecular Weight:411.3159
Hs Code.:
DSSTox Substance ID:DTXSID80332033
Wikidata:Q27108495
Metabolomics Workbench ID:69579

Synonyms:Turgorin;80220-30-0;C10837;[(2R,3S,4S,5R,6S)-6-(4-carboxy-2,6-dihydroxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl sulfate;AC1L9DT8;CHEBI:9780;DTXSID80332033;Q27108495;[(2R,3S,4S,5R,6S)-6-(4-carboxy-2,6-dihydroxy-phenoxy)-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl sulfate

Suppliers and Price of Turgorin

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 0 raw suppliers

Chemical Property of Turgorin

Chemical Property:

Boiling Point:°Cat760mmHg
Flash Point:°C
PSA：231.72000
Density:g/cm³
LogP:-0.67920
XLogP3:-2.4
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:5
Exact Mass:411.02333670
Heavy Atom Count:27
Complexity:593

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=C(C=C(C(=C1O)OC2C(C(C(C(O2)COS(=O)(=O)[O-])O)O)O)O)C(=O)O
Isomeric SMILES:C1=C(C=C(C(=C1O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COS(=O)(=O)[O-])O)O)O)O)C(=O)O

Technology Process of Turgorin

There total 5 articles about Turgorin 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: 39.0%

: 84274-52-2
gallic acid 4-O-β-D-glucopyranoside

: 80220-30-0
4-O-(6-O-Sulfo-β-D-glucopyranosyl)gallussaeure

Guidance literature:: With pyridine-SO₃ complex; In N,N-dimethyl-formamide; at 40 ℃; for 0.0833333h;
DOI:10.1016/0008-6215(87)80115-5

Reference yield:

: 149-91-7
3,4,5-trihydroxybenzoic acid

: 80220-30-0
4-O-(6-O-Sulfo-β-D-glucopyranosyl)gallussaeure

Guidance literature:: Multi-step reaction with 7 steps

1: 94 percent / HCl-Gas / 2 h

2: 67 percent / NaOH / H₂O; ethanol / 1 h / Heating

3: 75 percent / 4-dimethylaminopyridine / pyridine / 1 h / 50 - 60 °C

4: 97 percent / 10percent Pd-C / ethanol / Ambient temperature

5: 52 percent / Ag₂O, drierite, quinoline

6: 80 percent / Ba(OH)2 / H₂O / 24 h / Ambient temperature

7: 39 percent / SO₃-pyridine-complex / dimethylformamide / 0.08 h / 40 °C

With quinoline; hydrogenchloride; dmap; calcium sulfate; barium dihydroxide; sodium hydroxide; pyridine-SO₃ complex; silver(l) oxide; palladium on activated charcoal; In pyridine; ethanol; water; N,N-dimethyl-formamide;
DOI:10.1016/0008-6215(87)80115-5

Reference yield:

: 99-24-1
methyl galloate

: 80220-30-0
4-O-(6-O-Sulfo-β-D-glucopyranosyl)gallussaeure

Guidance literature:: Multi-step reaction with 6 steps

1: 67 percent / NaOH / H₂O; ethanol / 1 h / Heating

2: 75 percent / 4-dimethylaminopyridine / pyridine / 1 h / 50 - 60 °C

3: 97 percent / 10percent Pd-C / ethanol / Ambient temperature

4: 52 percent / Ag₂O, drierite, quinoline

5: 80 percent / Ba(OH)2 / H₂O / 24 h / Ambient temperature

6: 39 percent / SO₃-pyridine-complex / dimethylformamide / 0.08 h / 40 °C

With quinoline; dmap; calcium sulfate; barium dihydroxide; sodium hydroxide; pyridine-SO₃ complex; silver(l) oxide; palladium on activated charcoal; In pyridine; ethanol; water; N,N-dimethyl-formamide;
DOI:10.1016/0008-6215(87)80115-5