beta-D-Glucopyranosiduronic acid, 2,3-dihydro-3-hydroxy-2,2-dimethyl-7-benzofuranyl
TL;DR: beta-D-Glucopyranosiduronic acid, 2,3-dihydro-3-hydroxy-2,2-dimethyl-7-benzofuranyl (CAS 90433-37-7) is a chemical compound with molecular formula C16H20O9 and molecular weight 356.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]oxane-2-carboxylic acid
Also Known As: beta-D-Glucopyranosiduronic acid, 2,3-dihydro-3-hydroxy-2,2-dimethyl-7-benzofuranyl, 3-hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl beta-D-glucopyranosiduronic acid, 3-Hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl hexopyranosiduronic acid, (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]oxane-2-carboxylic acid
| Molecular Formula | C16H20O9 |
|---|---|
| Molecular Weight | 356.11 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 356.11072 |
| Heavy Atoms | 25 |
| Complexity | 510.0 |
Chemical Identifiers
| CAS Number | 90433-37-7 |
|---|---|
| SMILES | CC1(C(C2=C(O1)C(=CC=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)C |
| InChIKey | FYXZBKHZVRPLJK-WOXUVOGXSA-N |
Product Overview
beta-D-Glucopyranosiduronic acid, 2,3-dihydro-3-hydroxy-2,2-dimethyl-7-benzofuranyl (CAS 90433-37-7), with molecular formula C16H20O9 and molecular weight 356.11 g/mol. IUPAC: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]oxane-2-carboxylic acid.
Chemical Property Profile of beta-D-Glucopyranosiduronic acid, 2,3-dihydro-3-hydroxy-2,2-dimethyl-7-benzofuranyl
Property Insights of beta-D-Glucopyranosiduronic acid, 2,3-dihydro-3-hydroxy-2,2-dimethyl-7-benzofuranyl
The XLogP value of -0.5 indicates that beta-D-Glucopyranosiduronic acid, 2,3-dihydro-3-hydroxy-2,2-dimethyl-7-benzofuranyl is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 146.0 Ų indicates high polarity, suggesting beta-D-Glucopyranosiduronic acid, 2,3-dihydro-3-hydroxy-2,2-dimethyl-7-benzofuranyl may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, beta-D-Glucopyranosiduronic acid, 2,3-dihydro-3-hydroxy-2,2-dimethyl-7-benzofuranyl has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of beta-D-Glucopyranosiduronic acid, 2,3-dihydro-3-hydroxy-2,2-dimethyl-7-benzofuranyl?
The CAS number of beta-D-Glucopyranosiduronic acid, 2,3-dihydro-3-hydroxy-2,2-dimethyl-7-benzofuranyl is 90433-37-7.
What is the molecular formula of beta-D-Glucopyranosiduronic acid, 2,3-dihydro-3-hydroxy-2,2-dimethyl-7-benzofuranyl?
The molecular formula of beta-D-Glucopyranosiduronic acid, 2,3-dihydro-3-hydroxy-2,2-dimethyl-7-benzofuranyl is C16H20O9.
What is the molecular weight of beta-D-Glucopyranosiduronic acid, 2,3-dihydro-3-hydroxy-2,2-dimethyl-7-benzofuranyl?
The molecular weight of beta-D-Glucopyranosiduronic acid, 2,3-dihydro-3-hydroxy-2,2-dimethyl-7-benzofuranyl is 356.11 g/mol.
Where can I buy beta-D-Glucopyranosiduronic acid, 2,3-dihydro-3-hydroxy-2,2-dimethyl-7-benzofuranyl?
You can request a quote for beta-D-Glucopyranosiduronic acid, 2,3-dihydro-3-hydroxy-2,2-dimethyl-7-benzofuranyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-D-Glucopyranosiduronic acid, 2,3-dihydro-3-hydroxy-2,2-dimethyl-7-benzofuranyl?
Yes, KEHONG BIO provides custom synthesis services for beta-D-Glucopyranosiduronic acid, 2,3-dihydro-3-hydroxy-2,2-dimethyl-7-benzofuranyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.