4-O-甲基葡萄糖醛酸
TL;DR: 4-O-甲基葡萄糖醛酸 (CAS 4120-73-4) is a chemical compound with molecular formula C7H12O7 and molecular weight 208.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-O-甲基葡萄糖醛酸
(2S,3S,4R,5R)-2,4,5-trihydroxy-3-methoxy-6-oxohexanoic acid
Also Known As: 4-O-methyl-D-glucuronic acid, 4-O-Methylglucuronic acid, MeGlcA, 4-O-Methylhexuronic acid, Escitalopram Impurity 73
| Molecular Formula | C7H12O7 |
|---|---|
| Molecular Weight | 208.06 g/mol |
| LogP | -2.0 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 208.0583 |
| Heavy Atoms | 14 |
| Complexity | 204.0 |
Chemical Identifiers
| CAS Number | 4120-73-4 |
|---|---|
| SMILES | CO[C@@H]([C@@H]([C@H](C=O)O)O)[C@@H](C(=O)O)O |
| InChIKey | QGGOCWIJGWDKHC-FSIIMWSLSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-O-甲基葡萄糖醛酸 (CAS 4120-73-4), with molecular formula C7H12O7 and molecular weight 208.06 g/mol. IUPAC: (2S,3S,4R,5R)-2,4,5-trihydroxy-3-methoxy-6-oxohexanoic acid.
Chemical Property Profile of 4-O-甲基葡萄糖醛酸
Property Insights of 4-O-甲基葡萄糖醛酸
The XLogP value of -2.0 indicates that 4-O-甲基葡萄糖醛酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-O-甲基葡萄糖醛酸. Following Lipinski's Rule of Five, 4-O-甲基葡萄糖醛酸 has 4 hydrogen bond donor(s) and 7 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 4-O-甲基葡萄糖醛酸?
The CAS number of 4-O-甲基葡萄糖醛酸 is 4120-73-4.
What is the molecular formula of 4-O-甲基葡萄糖醛酸?
The molecular formula of 4-O-甲基葡萄糖醛酸 is C7H12O7.
What is the molecular weight of 4-O-甲基葡萄糖醛酸?
The molecular weight of 4-O-甲基葡萄糖醛酸 is 208.06 g/mol.
Where can I buy 4-O-甲基葡萄糖醛酸?
You can request a quote for 4-O-甲基葡萄糖醛酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-O-甲基葡萄糖醛酸?
Yes, KEHONG BIO provides custom synthesis services for 4-O-甲基葡萄糖醛酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.