Gaultherin

Base Information

Chemical Name:Gaultherin
CAS No.:490-67-5
Deprecated CAS:16776-77-5
Molecular Formula:C19H26O12
Molecular Weight:446.408
Hs Code.:
UNII:39519L80TD
DSSTox Substance ID:DTXSID20878440
Nikkaji Number:J781.167E
Wikidata:Q27256859
Mol file:490-67-5.mol

Synonyms:2-((6-O-beta-D-Xylopyranosyl-beta-D-glucopyranosyl)oxy) benzoic acid methyl ester;gaultherin

Suppliers and Price of Gaultherin

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

JR MediChem
Gaultherin 98%
20mg
$ 1000.00

AvaChem
Gaultherin
1mg
$ 790.00

AvaChem
Gaultherin
5mg
$ 1390.00

Arctom
Gaultherin ≥98%
20mg
$ 238.00

American Custom Chemicals Corporation
GAULTHERIN 95.00%
5MG
$ 505.63

Total 37 raw suppliers

Chemical Property of Gaultherin

Chemical Property:

Vapor Pressure:4.26E-21mmHg at 25°C
Melting Point:249.2 °C
Refractive Index:1.633
Boiling Point:709 °C at 760 mmHg
PKA:12.74±0.70(Predicted)
Flash Point:249.2oC
PSA：184.60000
Density:1.58 g/cm³
LogP:-2.88480
XLogP3:-2.5
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:7
Exact Mass:446.14242626
Heavy Atom Count:31
Complexity:590

Purity/Quality:

95%-98% ^*data from raw suppliers

Gaultherin 98% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1=CC=CC=C1OC2C(C(C(C(O2)COC3C(C(C(CO3)O)O)O)O)O)O
Isomeric SMILES:COC(=O)C1=CC=CC=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)O)O)O

Technology Process of Gaultherin

There total 8 articles about Gaultherin 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: 45.0%

: C₂₉H₃₆O₁₇

: 490-67-5
gaultherin

Guidance literature:: With methanol; sodium methylate; at 20 ℃; for 3h;
DOI:10.1080/10286020.2011.596830

Reference yield:

: 572-09-8,3068-32-4,4026-32-8,6919-96-6,13242-53-0,14227-54-4,14795-18-7,19186-59-5,19285-38-2,21698-13-5,29907-26-4,53369-42-9,60619-58-1,61303-35-3,67337-79-5,69127-37-3,70749-15-4,72002-90-5,75247-30-2,75880-74-9,78418-57-2,102339-89-9,102339-90-2,103530-40-1,114028-03-4,114718-45-5,138514-70-2,138514-71-3
2,3,4,6-tetra-O-acetyl-D-glucopyranosyl bromide

: 490-67-5
gaultherin

Guidance literature:: Multi-step reaction with 7 steps

1: tetrabutylammomium bromide; sodium hydroxide / dichloromethane / 4 h / 40 °C

2: methanol; sodium methylate / 3 h / 20 °C

3: zinc(II) chloride / 12 h / 20 °C

4: pyridine / 10 h / 20 °C

5: acetic acid / 3 h / 80 °C

6: boron trifluoride diethyl etherate / dichloromethane / 20 h / 20 °C / Inert atmosphere; Molecular sieve

7: methanol; sodium methylate / 3 h / 20 °C

With pyridine; methanol; boron trifluoride diethyl etherate; tetrabutylammomium bromide; sodium methylate; acetic acid; sodium hydroxide; zinc(II) chloride; In dichloromethane;
DOI:10.1080/10286020.2011.596830

Reference yield:

: C₂₁H₂₂O₈

: 490-67-5
gaultherin

Guidance literature:: Multi-step reaction with 4 steps

1: pyridine / 10 h / 20 °C

2: acetic acid / 3 h / 80 °C

3: boron trifluoride diethyl etherate / dichloromethane / 20 h / 20 °C / Inert atmosphere; Molecular sieve

4: methanol; sodium methylate / 3 h / 20 °C

With pyridine; methanol; boron trifluoride diethyl etherate; sodium methylate; acetic acid; In dichloromethane;
DOI:10.1080/10286020.2011.596830