beta-D-Glucopyranuronic acid, 1-(3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate), (1R-cis)-
TL;DR: beta-D-Glucopyranuronic acid, 1-(3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate), (1R-cis)- (CAS 80446-46-4) is a chemical compound with molecular formula C14H18Cl2O8 and molecular weight 384.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6R)-6-[(1R,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: beta-D-Glucopyranuronic acid, 1-(3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate), (1R-cis)-, 1-O-[3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropane-1-carbonyl]hexopyranuronic acid, (2S,3S,4S,5R,6R)-6-[(1R,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid, 1-O-[(1R,3R)-3-(2,2-Dichloroethen-1-yl)-2,2-dimethylcyclopropane-1-carbonyl]-alpha-D-glucopyranuronic acid
| Molecular Formula | C14H18Cl2O8 |
|---|---|
| Molecular Weight | 384.04 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 384.03787 |
| Heavy Atoms | 24 |
| Complexity | 559.0 |
Chemical Identifiers
| CAS Number | 80446-46-4 |
|---|---|
| SMILES | CC1([C@H]([C@H]1C(=O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)C=C(Cl)Cl)C |
| InChIKey | SCDVRNUOLGVBJK-NIBPJXFHSA-N |
Product Overview
beta-D-Glucopyranuronic acid, 1-(3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate), (1R-cis)- (CAS 80446-46-4), with molecular formula C14H18Cl2O8 and molecular weight 384.04 g/mol. IUPAC: (2S,3S,4S,5R,6R)-6-[(1R,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of beta-D-Glucopyranuronic acid, 1-(3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate), (1R-cis)-
Property Insights of beta-D-Glucopyranuronic acid, 1-(3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate), (1R-cis)-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-D-Glucopyranuronic acid, 1-(3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate), (1R-cis)-. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for beta-D-Glucopyranuronic acid, 1-(3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate), (1R-cis)-. Following Lipinski's Rule of Five, beta-D-Glucopyranuronic acid, 1-(3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate), (1R-cis)- has 4 hydrogen bond donor(s) and 8 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-Glucopyranuronic acid, 1-(3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate), (1R-cis)-?
The CAS number of beta-D-Glucopyranuronic acid, 1-(3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate), (1R-cis)- is 80446-46-4.
What is the molecular formula of beta-D-Glucopyranuronic acid, 1-(3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate), (1R-cis)-?
The molecular formula of beta-D-Glucopyranuronic acid, 1-(3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate), (1R-cis)- is C14H18Cl2O8.
What is the molecular weight of beta-D-Glucopyranuronic acid, 1-(3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate), (1R-cis)-?
The molecular weight of beta-D-Glucopyranuronic acid, 1-(3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate), (1R-cis)- is 384.04 g/mol.
Where can I buy beta-D-Glucopyranuronic acid, 1-(3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate), (1R-cis)-?
You can request a quote for beta-D-Glucopyranuronic acid, 1-(3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate), (1R-cis)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-D-Glucopyranuronic acid, 1-(3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate), (1R-cis)-?
Yes, KEHONG BIO provides custom synthesis services for beta-D-Glucopyranuronic acid, 1-(3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate), (1R-cis)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.