beta-D-Glucopyranuronic acid, 1-(3-(2,2-dibromoethenyl)-2-(hydroxymethyl)-2-methylcyclopropanecarboxylate)
TL;DR: beta-D-Glucopyranuronic acid, 1-(3-(2,2-dibromoethenyl)-2-(hydroxymethyl)-2-methylcyclopropanecarboxylate) (CAS 82079-69-4) is a chemical compound with molecular formula C14H18Br2O9 and molecular weight 487.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6S)-6-[3-(2,2-dibromoethenyl)-2-(hydroxymethyl)-2-methylcyclopropanecarbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: beta-D-Glucopyranuronic acid, 1-(3-(2,2-dibromoethenyl)-2-(hydroxymethyl)-2-methylcyclopropanecarboxylate), (2S,3S,4S,5R,6S)-6-[3-(2,2-dibromoethenyl)-2-(hydroxymethyl)-2-methylcyclopropanecarbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid, 1-O-[3-(2,2-Dibromoethen-1-yl)-2-(hydroxymethyl)-2-methylcyclopropane-1-carbonyl]-beta-D-glucopyranuronic acid, 1-O-[3-(2,2-Dibromoethenyl)-2-(hydroxymethyl)-2-methylcyclopropane-1-carbonyl]hexopyranuronic acid
| Molecular Formula | C14H18Br2O9 |
|---|---|
| Molecular Weight | 487.93 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 154.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 487.93176 |
| Heavy Atoms | 25 |
| Complexity | 579.0 |
Chemical Identifiers
| CAS Number | 82079-69-4 |
|---|---|
| SMILES | CC1(C(C1C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)C=C(Br)Br)CO |
| InChIKey | NYDTYNUXLSCRFN-JSZVJRGMSA-N |
Product Overview
beta-D-Glucopyranuronic acid, 1-(3-(2,2-dibromoethenyl)-2-(hydroxymethyl)-2-methylcyclopropanecarboxylate) (CAS 82079-69-4), with molecular formula C14H18Br2O9 and molecular weight 487.93 g/mol. IUPAC: (2S,3S,4S,5R,6S)-6-[3-(2,2-dibromoethenyl)-2-(hydroxymethyl)-2-methylcyclopropanecarbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of beta-D-Glucopyranuronic acid, 1-(3-(2,2-dibromoethenyl)-2-(hydroxymethyl)-2-methylcyclopropanecarboxylate)
Property Insights of beta-D-Glucopyranuronic acid, 1-(3-(2,2-dibromoethenyl)-2-(hydroxymethyl)-2-methylcyclopropanecarboxylate)
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-D-Glucopyranuronic acid, 1-(3-(2,2-dibromoethenyl)-2-(hydroxymethyl)-2-methylcyclopropanecarboxylate). The TPSA of 154.0 Ų indicates high polarity, suggesting beta-D-Glucopyranuronic acid, 1-(3-(2,2-dibromoethenyl)-2-(hydroxymethyl)-2-methylcyclopropanecarboxylate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, beta-D-Glucopyranuronic acid, 1-(3-(2,2-dibromoethenyl)-2-(hydroxymethyl)-2-methylcyclopropanecarboxylate) 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-Glucopyranuronic acid, 1-(3-(2,2-dibromoethenyl)-2-(hydroxymethyl)-2-methylcyclopropanecarboxylate)?
The CAS number of beta-D-Glucopyranuronic acid, 1-(3-(2,2-dibromoethenyl)-2-(hydroxymethyl)-2-methylcyclopropanecarboxylate) is 82079-69-4.
What is the molecular formula of beta-D-Glucopyranuronic acid, 1-(3-(2,2-dibromoethenyl)-2-(hydroxymethyl)-2-methylcyclopropanecarboxylate)?
The molecular formula of beta-D-Glucopyranuronic acid, 1-(3-(2,2-dibromoethenyl)-2-(hydroxymethyl)-2-methylcyclopropanecarboxylate) is C14H18Br2O9.
What is the molecular weight of beta-D-Glucopyranuronic acid, 1-(3-(2,2-dibromoethenyl)-2-(hydroxymethyl)-2-methylcyclopropanecarboxylate)?
The molecular weight of beta-D-Glucopyranuronic acid, 1-(3-(2,2-dibromoethenyl)-2-(hydroxymethyl)-2-methylcyclopropanecarboxylate) is 487.93 g/mol.
Where can I buy beta-D-Glucopyranuronic acid, 1-(3-(2,2-dibromoethenyl)-2-(hydroxymethyl)-2-methylcyclopropanecarboxylate)?
You can request a quote for beta-D-Glucopyranuronic acid, 1-(3-(2,2-dibromoethenyl)-2-(hydroxymethyl)-2-methylcyclopropanecarboxylate) 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-dibromoethenyl)-2-(hydroxymethyl)-2-methylcyclopropanecarboxylate)?
Yes, KEHONG BIO provides custom synthesis services for beta-D-Glucopyranuronic acid, 1-(3-(2,2-dibromoethenyl)-2-(hydroxymethyl)-2-methylcyclopropanecarboxylate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.