beta-D-Glucopyranosiduronic acid, 1-(2,2-dimethyl-3-(2-methyl-3-oxo-1-propenyl)cyclopropanecarboxylate), (1R-trans)-
TL;DR: beta-D-Glucopyranosiduronic acid, 1-(2,2-dimethyl-3-(2-methyl-3-oxo-1-propenyl)cyclopropanecarboxylate), (1R-trans)- (CAS 93040-27-8) is a chemical compound with molecular formula C16H22O9 and molecular weight 358.13 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)-2,2-dimethyl-3-[(E)-2-methyl-3-oxoprop-1-enyl]cyclopropanecarbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: beta-D-Glucopyranosiduronic acid, 1-(2,2-dimethyl-3-(2-methyl-3-oxo-1-propenyl)cyclopropanecarboxylate), (1R-trans)-, (2S,3S,4S,5R,6R)-6-[(1R,3R)-2,2-dimethyl-3-[(E)-2-methyl-3-oxoprop-1-enyl]cyclopropanecarbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
| Molecular Formula | C16H22O9 |
|---|---|
| Molecular Weight | 358.13 g/mol |
| LogP | -1.1608 |
| Topological Polar Surface Area | 150.59 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 358.12637 |
| Heavy Atoms | 25 |
| Complexity | 596.4128 |
Chemical Identifiers
| CAS Number | 93040-27-8 |
|---|---|
| SMILES | C/C(=C\[C@@H]1[C@H](C1(C)C)C(=O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)/C=O |
Product Overview
beta-D-Glucopyranosiduronic acid, 1-(2,2-dimethyl-3-(2-methyl-3-oxo-1-propenyl)cyclopropanecarboxylate), (1R-trans)- (CAS 93040-27-8), with molecular formula C16H22O9 and molecular weight 358.13 g/mol. IUPAC: (2S,3S,4S,5R,6R)-6-[(1R,3R)-2,2-dimethyl-3-[(E)-2-methyl-3-oxoprop-1-enyl]cyclopropanecarbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of beta-D-Glucopyranosiduronic acid, 1-(2,2-dimethyl-3-(2-methyl-3-oxo-1-propenyl)cyclopropanecarboxylate), (1R-trans)-
Property Insights of beta-D-Glucopyranosiduronic acid, 1-(2,2-dimethyl-3-(2-methyl-3-oxo-1-propenyl)cyclopropanecarboxylate), (1R-trans)-
The XLogP value of -1.1608 indicates that beta-D-Glucopyranosiduronic acid, 1-(2,2-dimethyl-3-(2-methyl-3-oxo-1-propenyl)cyclopropanecarboxylate), (1R-trans)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 150.59 Ų indicates high polarity, suggesting beta-D-Glucopyranosiduronic acid, 1-(2,2-dimethyl-3-(2-methyl-3-oxo-1-propenyl)cyclopropanecarboxylate), (1R-trans)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, beta-D-Glucopyranosiduronic acid, 1-(2,2-dimethyl-3-(2-methyl-3-oxo-1-propenyl)cyclopropanecarboxylate), (1R-trans)- 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, 1-(2,2-dimethyl-3-(2-methyl-3-oxo-1-propenyl)cyclopropanecarboxylate), (1R-trans)-?
The CAS number of beta-D-Glucopyranosiduronic acid, 1-(2,2-dimethyl-3-(2-methyl-3-oxo-1-propenyl)cyclopropanecarboxylate), (1R-trans)- is 93040-27-8.
What is the molecular formula of beta-D-Glucopyranosiduronic acid, 1-(2,2-dimethyl-3-(2-methyl-3-oxo-1-propenyl)cyclopropanecarboxylate), (1R-trans)-?
The molecular formula of beta-D-Glucopyranosiduronic acid, 1-(2,2-dimethyl-3-(2-methyl-3-oxo-1-propenyl)cyclopropanecarboxylate), (1R-trans)- is C16H22O9.
What is the molecular weight of beta-D-Glucopyranosiduronic acid, 1-(2,2-dimethyl-3-(2-methyl-3-oxo-1-propenyl)cyclopropanecarboxylate), (1R-trans)-?
The molecular weight of beta-D-Glucopyranosiduronic acid, 1-(2,2-dimethyl-3-(2-methyl-3-oxo-1-propenyl)cyclopropanecarboxylate), (1R-trans)- is 358.13 g/mol.
Where can I buy beta-D-Glucopyranosiduronic acid, 1-(2,2-dimethyl-3-(2-methyl-3-oxo-1-propenyl)cyclopropanecarboxylate), (1R-trans)-?
You can request a quote for beta-D-Glucopyranosiduronic acid, 1-(2,2-dimethyl-3-(2-methyl-3-oxo-1-propenyl)cyclopropanecarboxylate), (1R-trans)- 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, 1-(2,2-dimethyl-3-(2-methyl-3-oxo-1-propenyl)cyclopropanecarboxylate), (1R-trans)-?
Yes, KEHONG BIO provides custom synthesis services for beta-D-Glucopyranosiduronic acid, 1-(2,2-dimethyl-3-(2-methyl-3-oxo-1-propenyl)cyclopropanecarboxylate), (1R-trans)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.