木-2-己酮糖酸甲酯
TL;DR: 木-2-己酮糖酸甲酯 (CAS 75081-72-0) 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.
木-2-己酮糖酸甲酯
methyl (3R,4S,5R)-3,4,5,6-tetrahydroxy-2-oxohexanoate
Also Known As: Provitamin C, methyl D-sorbosonate, xylo-2-Hexulosonic acid, methyl ester, Ascorbic acid impurity D, Ascorbic Acid Impurity 12
| 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 | 75081-72-0 |
|---|---|
| SMILES | COC(=O)C(=O)[C@@H]([C@H]([C@@H](CO)O)O)O |
| InChIKey | KPHIBLNUVRGOGU-MROZADKFSA-N |
Product Overview
木-2-己酮糖酸甲酯 (CAS 75081-72-0), with molecular formula C7H12O7 and molecular weight 208.06 g/mol. IUPAC: methyl (3R,4S,5R)-3,4,5,6-tetrahydroxy-2-oxohexanoate.
Chemical Property Profile of 木-2-己酮糖酸甲酯
Property Insights of 木-2-己酮糖酸甲酯
The XLogP value of -2.5 indicates that 木-2-己酮糖酸甲酯 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 木-2-己酮糖酸甲酯. Following Lipinski's Rule of Five, 木-2-己酮糖酸甲酯 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 木-2-己酮糖酸甲酯?
The CAS number of 木-2-己酮糖酸甲酯 is 75081-72-0.
What is the molecular formula of 木-2-己酮糖酸甲酯?
The molecular formula of 木-2-己酮糖酸甲酯 is C7H12O7.
What is the molecular weight of 木-2-己酮糖酸甲酯?
The molecular weight of 木-2-己酮糖酸甲酯 is 208.06 g/mol.
Where can I buy 木-2-己酮糖酸甲酯?
You can request a quote for 木-2-己酮糖酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 木-2-己酮糖酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 木-2-己酮糖酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.