beta-D-Glucopyranosiduronic acid, 2,3-dihydro-2,2-dimethyl-3-oxo-7-benzofuranyl
TL;DR: beta-D-Glucopyranosiduronic acid, 2,3-dihydro-2,2-dimethyl-3-oxo-7-benzofuranyl (CAS 91180-83-5) is a chemical compound with molecular formula C16H18O9 and molecular weight 354.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6S)-6-[(2,2-dimethyl-3-oxo-1-benzofuran-7-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: beta-D-Glucopyranosiduronic acid, 2,3-dihydro-2,2-dimethyl-3-oxo-7-benzofuranyl, 2,2-dimethyl-3-oxo-2,3-dihydro-1-benzofuran-7-yl, A-d-glucopyranosiduronic acid, 2,2-Dimethyl-3-oxo-2,3-dihydro-1-benzofuran-7-yl hexopyranosiduronic acid, 2,2-dimethyl-3-oxo-2,3-dihydro-1-benzofuran-7-yl beta-D-glucopyranosiduronic acid
| Molecular Formula | C16H18O9 |
|---|---|
| Molecular Weight | 354.10 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 354.0951 |
| Heavy Atoms | 25 |
| Complexity | 548.0 |
Chemical Identifiers
| CAS Number | 91180-83-5 |
|---|---|
| SMILES | CC1(C(=O)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)C |
| InChIKey | GXPLGWICHUMWDU-YGMDGNCASA-N |
Product Overview
beta-D-Glucopyranosiduronic acid, 2,3-dihydro-2,2-dimethyl-3-oxo-7-benzofuranyl (CAS 91180-83-5), with molecular formula C16H18O9 and molecular weight 354.10 g/mol. IUPAC: (2S,3S,4S,5R,6S)-6-[(2,2-dimethyl-3-oxo-1-benzofuran-7-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of beta-D-Glucopyranosiduronic acid, 2,3-dihydro-2,2-dimethyl-3-oxo-7-benzofuranyl
Property Insights of beta-D-Glucopyranosiduronic acid, 2,3-dihydro-2,2-dimethyl-3-oxo-7-benzofuranyl
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-D-Glucopyranosiduronic acid, 2,3-dihydro-2,2-dimethyl-3-oxo-7-benzofuranyl. The TPSA of 143.0 Ų indicates high polarity, suggesting beta-D-Glucopyranosiduronic acid, 2,3-dihydro-2,2-dimethyl-3-oxo-7-benzofuranyl may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, beta-D-Glucopyranosiduronic acid, 2,3-dihydro-2,2-dimethyl-3-oxo-7-benzofuranyl has 4 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-2,2-dimethyl-3-oxo-7-benzofuranyl?
The CAS number of beta-D-Glucopyranosiduronic acid, 2,3-dihydro-2,2-dimethyl-3-oxo-7-benzofuranyl is 91180-83-5.
What is the molecular formula of beta-D-Glucopyranosiduronic acid, 2,3-dihydro-2,2-dimethyl-3-oxo-7-benzofuranyl?
The molecular formula of beta-D-Glucopyranosiduronic acid, 2,3-dihydro-2,2-dimethyl-3-oxo-7-benzofuranyl is C16H18O9.
What is the molecular weight of beta-D-Glucopyranosiduronic acid, 2,3-dihydro-2,2-dimethyl-3-oxo-7-benzofuranyl?
The molecular weight of beta-D-Glucopyranosiduronic acid, 2,3-dihydro-2,2-dimethyl-3-oxo-7-benzofuranyl is 354.10 g/mol.
Where can I buy beta-D-Glucopyranosiduronic acid, 2,3-dihydro-2,2-dimethyl-3-oxo-7-benzofuranyl?
You can request a quote for beta-D-Glucopyranosiduronic acid, 2,3-dihydro-2,2-dimethyl-3-oxo-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-2,2-dimethyl-3-oxo-7-benzofuranyl?
Yes, KEHONG BIO provides custom synthesis services for beta-D-Glucopyranosiduronic acid, 2,3-dihydro-2,2-dimethyl-3-oxo-7-benzofuranyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.