beta-D-Glucopyranosiduronic acid, 3-(3-(methoxycarbonyl)-2,2-dimethylcyclopropyl)-2-methyl-2-propenyl, (1S-(1alpha(E),3beta))-
TL;DR: beta-D-Glucopyranosiduronic acid, 3-(3-(methoxycarbonyl)-2,2-dimethylcyclopropyl)-2-methyl-2-propenyl, (1S-(1alpha(E),3beta))- (CAS 93040-26-7) is a chemical compound with molecular formula C17H26O9 and molecular weight 374.16 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-[(E)-3-(3-methoxycarbonyl-2,2-dimethylcyclopropyl)-2-methylprop-2-enoxy]oxane-2-carboxylic acid
Also Known As: beta-D-Glucopyranosiduronic acid, 3-(3-(methoxycarbonyl)-2,2-dimethylcyclopropyl)-2-methyl-2-propenyl, (1S-(1alpha(E),3beta))-, (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(E)-3-(3-methoxycarbonyl-2,2-dimethylcyclopropyl)-2-methylprop-2-enoxy]oxane-2-carboxylic acid
| Molecular Formula | C17H26O9 |
|---|---|
| Molecular Weight | 374.16 g/mol |
| LogP | -0.7133 |
| Topological Polar Surface Area | 142.75 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 374.15768 |
| Heavy Atoms | 26 |
| Complexity | 584.78265 |
Chemical Identifiers
| CAS Number | 93040-26-7 |
|---|---|
| SMILES | C/C(=C\C1C(C1(C)C)C(=O)OC)/CO[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O |
Product Overview
beta-D-Glucopyranosiduronic acid, 3-(3-(methoxycarbonyl)-2,2-dimethylcyclopropyl)-2-methyl-2-propenyl, (1S-(1alpha(E),3beta))- (CAS 93040-26-7), with molecular formula C17H26O9 and molecular weight 374.16 g/mol. IUPAC: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(E)-3-(3-methoxycarbonyl-2,2-dimethylcyclopropyl)-2-methylprop-2-enoxy]oxane-2-carboxylic acid.
Chemical Property Profile of beta-D-Glucopyranosiduronic acid, 3-(3-(methoxycarbonyl)-2,2-dimethylcyclopropyl)-2-methyl-2-propenyl, (1S-(1alpha(E),3beta))-
Property Insights of beta-D-Glucopyranosiduronic acid, 3-(3-(methoxycarbonyl)-2,2-dimethylcyclopropyl)-2-methyl-2-propenyl, (1S-(1alpha(E),3beta))-
The XLogP value of -0.7133 indicates that beta-D-Glucopyranosiduronic acid, 3-(3-(methoxycarbonyl)-2,2-dimethylcyclopropyl)-2-methyl-2-propenyl, (1S-(1alpha(E),3beta))- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 142.75 Ų indicates high polarity, suggesting beta-D-Glucopyranosiduronic acid, 3-(3-(methoxycarbonyl)-2,2-dimethylcyclopropyl)-2-methyl-2-propenyl, (1S-(1alpha(E),3beta))- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, beta-D-Glucopyranosiduronic acid, 3-(3-(methoxycarbonyl)-2,2-dimethylcyclopropyl)-2-methyl-2-propenyl, (1S-(1alpha(E),3beta))- 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-Glucopyranosiduronic acid, 3-(3-(methoxycarbonyl)-2,2-dimethylcyclopropyl)-2-methyl-2-propenyl, (1S-(1alpha(E),3beta))-?
The CAS number of beta-D-Glucopyranosiduronic acid, 3-(3-(methoxycarbonyl)-2,2-dimethylcyclopropyl)-2-methyl-2-propenyl, (1S-(1alpha(E),3beta))- is 93040-26-7.
What is the molecular formula of beta-D-Glucopyranosiduronic acid, 3-(3-(methoxycarbonyl)-2,2-dimethylcyclopropyl)-2-methyl-2-propenyl, (1S-(1alpha(E),3beta))-?
The molecular formula of beta-D-Glucopyranosiduronic acid, 3-(3-(methoxycarbonyl)-2,2-dimethylcyclopropyl)-2-methyl-2-propenyl, (1S-(1alpha(E),3beta))- is C17H26O9.
What is the molecular weight of beta-D-Glucopyranosiduronic acid, 3-(3-(methoxycarbonyl)-2,2-dimethylcyclopropyl)-2-methyl-2-propenyl, (1S-(1alpha(E),3beta))-?
The molecular weight of beta-D-Glucopyranosiduronic acid, 3-(3-(methoxycarbonyl)-2,2-dimethylcyclopropyl)-2-methyl-2-propenyl, (1S-(1alpha(E),3beta))- is 374.16 g/mol.
Where can I buy beta-D-Glucopyranosiduronic acid, 3-(3-(methoxycarbonyl)-2,2-dimethylcyclopropyl)-2-methyl-2-propenyl, (1S-(1alpha(E),3beta))-?
You can request a quote for beta-D-Glucopyranosiduronic acid, 3-(3-(methoxycarbonyl)-2,2-dimethylcyclopropyl)-2-methyl-2-propenyl, (1S-(1alpha(E),3beta))- 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, 3-(3-(methoxycarbonyl)-2,2-dimethylcyclopropyl)-2-methyl-2-propenyl, (1S-(1alpha(E),3beta))-?
Yes, KEHONG BIO provides custom synthesis services for beta-D-Glucopyranosiduronic acid, 3-(3-(methoxycarbonyl)-2,2-dimethylcyclopropyl)-2-methyl-2-propenyl, (1S-(1alpha(E),3beta))- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.