Calcium glucoheptonate
TL;DR: Calcium glucoheptonate (CAS 29039-00-7) is a chemical compound with molecular formula C14H26CaO16 and molecular weight 490.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis((3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate)
Also Known As: CALCIUM GLUCEPTATE, Calcium glucoheptonate, Calcihept, Calcii glucoheptonas, glucoheptonate
| Molecular Formula | C14H26CaO16 |
|---|---|
| Molecular Weight | 490.08 g/mol |
| LogP | -11.31 |
| Topological Polar Surface Area | 323.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 10 |
| Exact Mass | 490.0847 |
| Heavy Atoms | 31 |
| Complexity | 202.0 |
| Solubility | Soluble |
Chemical Identifiers
| CAS Number | 29039-00-7 |
|---|---|
| SMILES | C([C@H]([C@H]([C@@H]([C@H](C(C(=O)[O-])O)O)O)O)O)O.C([C@H]([C@H]([C@@H]([C@H](C(C(=O)[O-])O)O)O)O)O)O.[Ca+2] |
| InChIKey | FATUQANACHZLRT-KMRXSBRUSA-L |
Product Overview
Calcium glucoheptonate (CAS 29039-00-7), with molecular formula C14H26CaO16 and molecular weight 490.08 g/mol. IUPAC: calcium bis((3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate).
Chemical Property Profile of Calcium glucoheptonate
Property Insights of Calcium glucoheptonate
The XLogP value of -11.31 indicates that Calcium glucoheptonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 323.0 Ų indicates high polarity, suggesting Calcium glucoheptonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Calcium glucoheptonate has 12 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Calcium glucoheptonate?
The CAS number of Calcium glucoheptonate is 29039-00-7.
What is the molecular formula of Calcium glucoheptonate?
The molecular formula of Calcium glucoheptonate is C14H26CaO16.
What is the molecular weight of Calcium glucoheptonate?
The molecular weight of Calcium glucoheptonate is 490.08 g/mol.
Where can I buy Calcium glucoheptonate?
You can request a quote for Calcium glucoheptonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calcium glucoheptonate?
Yes, KEHONG BIO provides custom synthesis services for Calcium glucoheptonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.