Sodium heptonate
TL;DR: Sodium heptonate (CAS 30080-50-3) is a chemical compound with molecular formula C7H13NaO8 and molecular weight 248.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 2,3,4,5,6,7-hexahydroxyheptanoate
Also Known As: Sodium heptonate, Sodium glucoheptonate, glucoheptonate, Sodium glucoheptanate, Glucosemonocarboxylic acid
| Molecular Formula | C7H13NaO8 |
|---|---|
| Molecular Weight | 248.05 g/mol |
| LogP | -8.4629 |
| Topological Polar Surface Area | 162.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 248.05081 |
| Heavy Atoms | 16 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 30080-50-3 |
|---|---|
| SMILES | C(C(C(C(C(C(C(=O)[O-])O)O)O)O)O)O.[Na+] |
| InChIKey | FMYOMWCQJXWGEN-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Sodium heptonate (CAS 30080-50-3), with molecular formula C7H13NaO8 and molecular weight 248.05 g/mol. IUPAC: sodium 2,3,4,5,6,7-hexahydroxyheptanoate.
Chemical Property Profile of Sodium heptonate
Property Insights of Sodium heptonate
The XLogP value of -8.4629 indicates that Sodium heptonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 162.0 Ų indicates high polarity, suggesting Sodium heptonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sodium heptonate has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sodium heptonate?
The CAS number of Sodium heptonate is 30080-50-3.
What is the molecular formula of Sodium heptonate?
The molecular formula of Sodium heptonate is C7H13NaO8.
What is the molecular weight of Sodium heptonate?
The molecular weight of Sodium heptonate is 248.05 g/mol.
Where can I buy Sodium heptonate?
You can request a quote for Sodium heptonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sodium heptonate?
Yes, KEHONG BIO provides custom synthesis services for Sodium heptonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.