beta-D-Glucopyranosiduronic acid, 2-methoxy-4-(2-propen-1-yl)phenyl
TL;DR: beta-D-Glucopyranosiduronic acid, 2-methoxy-4-(2-propen-1-yl)phenyl (CAS 95480-61-8) is a chemical compound with molecular formula C16H20O8 and molecular weight 340.12 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-(2-methoxy-4-prop-2-enylphenoxy)oxane-2-carboxylic acid
Also Known As: Eugenol-glucuronide, beta-D-Glucopyranosiduronic acid, 2-methoxy-4-(2-propen-1-yl)phenyl, 2-Methoxy-4-(prop-2-en-1-yl)phenyl hexopyranosiduronic acid, 2-methoxy-4-(prop-2-en-1-yl)phenyl beta-D-glucopyranosiduronic acid, (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(2-methoxy-4-prop-2-enyl-phenoxy)oxane-2-carboxylic Acid
| Molecular Formula | C16H20O8 |
|---|---|
| Molecular Weight | 340.12 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 340.1158 |
| Heavy Atoms | 24 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 95480-61-8 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)CC=C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O |
| InChIKey | MQXZRKSWEMEXCG-JHZZJYKESA-N |
Product Overview
beta-D-Glucopyranosiduronic acid, 2-methoxy-4-(2-propen-1-yl)phenyl (CAS 95480-61-8), with molecular formula C16H20O8 and molecular weight 340.12 g/mol. IUPAC: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-methoxy-4-prop-2-enylphenoxy)oxane-2-carboxylic acid.
Chemical Property Profile of beta-D-Glucopyranosiduronic acid, 2-methoxy-4-(2-propen-1-yl)phenyl
Property Insights of beta-D-Glucopyranosiduronic acid, 2-methoxy-4-(2-propen-1-yl)phenyl
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-D-Glucopyranosiduronic acid, 2-methoxy-4-(2-propen-1-yl)phenyl. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for beta-D-Glucopyranosiduronic acid, 2-methoxy-4-(2-propen-1-yl)phenyl. Following Lipinski's Rule of Five, beta-D-Glucopyranosiduronic acid, 2-methoxy-4-(2-propen-1-yl)phenyl 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, 2-methoxy-4-(2-propen-1-yl)phenyl?
The CAS number of beta-D-Glucopyranosiduronic acid, 2-methoxy-4-(2-propen-1-yl)phenyl is 95480-61-8.
What is the molecular formula of beta-D-Glucopyranosiduronic acid, 2-methoxy-4-(2-propen-1-yl)phenyl?
The molecular formula of beta-D-Glucopyranosiduronic acid, 2-methoxy-4-(2-propen-1-yl)phenyl is C16H20O8.
What is the molecular weight of beta-D-Glucopyranosiduronic acid, 2-methoxy-4-(2-propen-1-yl)phenyl?
The molecular weight of beta-D-Glucopyranosiduronic acid, 2-methoxy-4-(2-propen-1-yl)phenyl is 340.12 g/mol.
Where can I buy beta-D-Glucopyranosiduronic acid, 2-methoxy-4-(2-propen-1-yl)phenyl?
You can request a quote for beta-D-Glucopyranosiduronic acid, 2-methoxy-4-(2-propen-1-yl)phenyl 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-methoxy-4-(2-propen-1-yl)phenyl?
Yes, KEHONG BIO provides custom synthesis services for beta-D-Glucopyranosiduronic acid, 2-methoxy-4-(2-propen-1-yl)phenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.