Calcium alpha-D-glucoheptonate
TL;DR: Calcium alpha-D-glucoheptonate (CAS 17140-60-2) 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((2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate)
Also Known As: Calcihept, Calcium glucoheptonate, Gluceptate, Glucoheptonic acid, Calcium heptagluconate
| 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 |
Chemical Identifiers
| CAS Number | 17140-60-2 |
|---|---|
| SMILES | C([C@H]([C@H]([C@@H]([C@H]([C@H](C(=O)[O-])O)O)O)O)O)O.C([C@H]([C@H]([C@@H]([C@H]([C@H](C(=O)[O-])O)O)O)O)O)O.[Ca+2] |
| InChIKey | FATUQANACHZLRT-XBQZYUPDSA-L |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Calcium alpha-D-glucoheptonate (CAS 17140-60-2), with molecular formula C14H26CaO16 and molecular weight 490.08 g/mol. IUPAC: calcium bis((2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate).
Chemical Property Profile of Calcium alpha-D-glucoheptonate
Property Insights of Calcium alpha-D-glucoheptonate
The XLogP value of -11.31 indicates that Calcium alpha-D-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 alpha-D-glucoheptonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Calcium alpha-D-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 alpha-D-glucoheptonate?
The CAS number of Calcium alpha-D-glucoheptonate is 17140-60-2.
What is the molecular formula of Calcium alpha-D-glucoheptonate?
The molecular formula of Calcium alpha-D-glucoheptonate is C14H26CaO16.
What is the molecular weight of Calcium alpha-D-glucoheptonate?
The molecular weight of Calcium alpha-D-glucoheptonate is 490.08 g/mol.
Where can I buy Calcium alpha-D-glucoheptonate?
You can request a quote for Calcium alpha-D-glucoheptonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calcium alpha-D-glucoheptonate?
Yes, KEHONG BIO provides custom synthesis services for Calcium alpha-D-glucoheptonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.