Methyl 3,4,5,6-tetrahydroxy-2-oxohexanoate
TL;DR: Methyl 3,4,5,6-tetrahydroxy-2-oxohexanoate (CAS 67776-07-2) 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.
methyl 3,4,5,6-tetrahydroxy-2-oxohexanoate
Also Known As: Methyl 2-keto-L-gulonate, Provitamin C, Ascorbic Acid EP Impurity D, Ketogluconic acid methyl ester, 2-Keto-D-gulonic Acid Methyl Ester
| Molecular Formula | C7H12O7 |
|---|---|
| Molecular Weight | 208.06 g/mol |
| LogP | -2.5 |
| 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 | 214.0 |
Chemical Identifiers
| CAS Number | 67776-07-2 |
|---|---|
| SMILES | COC(=O)C(=O)C(C(C(CO)O)O)O |
| InChIKey | KPHIBLNUVRGOGU-UHFFFAOYSA-N |
Product Overview
Methyl 3,4,5,6-tetrahydroxy-2-oxohexanoate (CAS 67776-07-2), with molecular formula C7H12O7 and molecular weight 208.06 g/mol. IUPAC: methyl 3,4,5,6-tetrahydroxy-2-oxohexanoate.
Chemical Property Profile of Methyl 3,4,5,6-tetrahydroxy-2-oxohexanoate
Property Insights of Methyl 3,4,5,6-tetrahydroxy-2-oxohexanoate
The XLogP value of -2.5 indicates that Methyl 3,4,5,6-tetrahydroxy-2-oxohexanoate 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 Methyl 3,4,5,6-tetrahydroxy-2-oxohexanoate. Following Lipinski's Rule of Five, Methyl 3,4,5,6-tetrahydroxy-2-oxohexanoate 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 Methyl 3,4,5,6-tetrahydroxy-2-oxohexanoate?
The CAS number of Methyl 3,4,5,6-tetrahydroxy-2-oxohexanoate is 67776-07-2.
What is the molecular formula of Methyl 3,4,5,6-tetrahydroxy-2-oxohexanoate?
The molecular formula of Methyl 3,4,5,6-tetrahydroxy-2-oxohexanoate is C7H12O7.
What is the molecular weight of Methyl 3,4,5,6-tetrahydroxy-2-oxohexanoate?
The molecular weight of Methyl 3,4,5,6-tetrahydroxy-2-oxohexanoate is 208.06 g/mol.
Where can I buy Methyl 3,4,5,6-tetrahydroxy-2-oxohexanoate?
You can request a quote for Methyl 3,4,5,6-tetrahydroxy-2-oxohexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3,4,5,6-tetrahydroxy-2-oxohexanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3,4,5,6-tetrahydroxy-2-oxohexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.