Calcium lactogluconate
TL;DR: Calcium lactogluconate (CAS 52080-72-5) is a chemical compound with molecular formula C18H32Ca2O20 and molecular weight 648.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dicalcium;bis(2-hydroxypropanoate);bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)
Also Known As: Lactogluconic Acid, Calcium lactogluconate, Calcium hexonate 2-hydroxypropanoate (1/1/1), Calcium D-gluconate 2-hydroxypropanoate (1/1/1), dicalcium;2-hydroxypropanoate;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
| Molecular Formula | C18H32Ca2O20 |
|---|---|
| Molecular Weight | 648.07 g/mol |
| LogP | -14.183 |
| Topological Polar Surface Area | 403.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 8 |
| Exact Mass | 648.07385 |
| Heavy Atoms | 40 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 52080-72-5 |
|---|---|
| SMILES | CC(C(=O)[O-])O.CC(C(=O)[O-])O.C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.[Ca+2].[Ca+2] |
| InChIKey | CHWIDOSGOMYENF-BMDZSJGYSA-J |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Calcium lactogluconate (CAS 52080-72-5), with molecular formula C18H32Ca2O20 and molecular weight 648.07 g/mol. IUPAC: dicalcium;bis(2-hydroxypropanoate);bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate).
Chemical Property Profile of Calcium lactogluconate
Property Insights of Calcium lactogluconate
The XLogP value of -14.183 indicates that Calcium lactogluconate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 403.0 Ų indicates high polarity, suggesting Calcium lactogluconate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Calcium lactogluconate has 12 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Calcium lactogluconate?
The CAS number of Calcium lactogluconate is 52080-72-5.
What is the molecular formula of Calcium lactogluconate?
The molecular formula of Calcium lactogluconate is C18H32Ca2O20.
What is the molecular weight of Calcium lactogluconate?
The molecular weight of Calcium lactogluconate is 648.07 g/mol.
Where can I buy Calcium lactogluconate?
You can request a quote for Calcium lactogluconate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calcium lactogluconate?
Yes, KEHONG BIO provides custom synthesis services for Calcium lactogluconate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.