7-Hydroxycoumarin glucuronide

Base Information

Chemical Name:7-Hydroxycoumarin glucuronide
CAS No.:66695-14-5
Molecular Formula:C₁₅H₁₄O₉
Molecular Weight:338.271
Hs Code.:
DSSTox Substance ID:DTXSID40985266
Nikkaji Number:J664.807J
Wikidata:Q27115693
Metabolomics Workbench ID:54892
ChEMBL ID:CHEMBL1528022

Synonyms:7-hydroxycoumarin glucuronide

Suppliers and Price of 7-Hydroxycoumarin glucuronide

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

Sigma-Aldrich
7-Hydroxycoumarin glucuronide sodium salt
10mg
$ 1290.00

Sigma-Aldrich
7-Hydroxycoumarin glucuronide sodium salt
5mg
$ 697.00

American Custom Chemicals Corporation
7-HYDROXY COUMARIN GLUCURONIDE 95.00%
5MG
$ 495.55

Alfa Aesar
7-Hydroxycoumarin glucuronide sodium salt 97%
5mg
$ 786.00

Total 13 raw suppliers

Chemical Property of 7-Hydroxycoumarin glucuronide

Chemical Property:

Appearance/Colour:white to faint yellow
Vapor Pressure:3.88E-20mmHg at 25°C
Melting Point:≥285 °C
Boiling Point:692.6 °C at 760 mmHg
PKA:2.76±0.70(Predicted)
Flash Point:262 °C
PSA：146.66000
Density:1.709 g/cm³
LogP:-0.93600
Storage Temp.:2-8°C
XLogP3:0
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:3
Exact Mass:338.06378202
Heavy Atom Count:24
Complexity:533

Purity/Quality:

98%,99%, ^*data from raw suppliers

7-Hydroxycoumarin glucuronide sodium salt ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:C1=CC(=CC2=C1C=CC(=O)O2)OC3C(C(C(C(O3)C(=O)O)O)O)O
Isomeric SMILES:C1=CC(=CC2=C1C=CC(=O)O2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O
Uses 7-Hydroxycoumarin glucuronide sodium salt can be used as a standard for the analysis of 7-hydroxycoumarin metabolites.

Technology Process of 7-Hydroxycoumarin glucuronide

There total 5 articles about 7-Hydroxycoumarin glucuronide 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: 70.0%

: 168286-97-3
O²,O³,O⁴-triacetyl-O¹-(2-oxo-2H-chromen-7-yl)-β-D-glucopyranuronic acid methyl ester

: 66695-14-5
7-Hydroxycoumarin glucuronide

Guidance literature:: With sodium carbonate; In methanol; at 20 ℃; for 5h;

Reference yield:

: 72692-06-9,73464-50-3,3082-95-9
methyl 2,3,4-tri-O-acetyl-D-glucopyranuronate

: 66695-14-5
7-Hydroxycoumarin glucuronide

Guidance literature:: Multi-step reaction with 3 steps

1: 81 percent / K₂CO₃ / CH₂Cl₂ / 16 h / Ambient temperature

2: 61 percent / BF₃*Et₂O / CH₂Cl₂ / 18 h / Ambient temperature

3: 70 percent / aq. Na₂CO₃ / methanol / 5 h / 20 °C

With boron trifluoride diethyl etherate; sodium carbonate; potassium carbonate; In methanol; dichloromethane;

Reference yield:

: 92420-89-8
methyl 2,3,4-tri-O-acetyl-1-O-(trichloroacetimidoyl)-α-D-glucopyranuronate

: 66695-14-5
7-Hydroxycoumarin glucuronide

Guidance literature:: Multi-step reaction with 2 steps

1: 61 percent / BF₃*Et₂O / CH₂Cl₂ / 18 h / Ambient temperature

2: 70 percent / aq. Na₂CO₃ / methanol / 5 h / 20 °C

With boron trifluoride diethyl etherate; sodium carbonate; In methanol; dichloromethane;