(4-O-beta-D-Galactopyranosyl-D-gluconato-O1)(D-gluconato-O1)calcium
TL;DR: (4-O-beta-D-Galactopyranosyl-D-gluconato-O1)(D-gluconato-O1)calcium (CAS 97635-31-9) is a chemical compound with molecular formula C18H32CaO19 and molecular weight 592.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate;(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoate
Also Known As: Glubionate calcium, Calcium glubionate anhydrous, CALCIUM GLUBIONATE, Calcium D-gluconate lactobionate, (D-gluconato)(lactobionato)calcium
| Molecular Formula | C18H32CaO19 |
|---|---|
| Molecular Weight | 592.12 g/mol |
| LogP | -12.21 |
| Topological Polar Surface Area | 362.0 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 15 |
| Exact Mass | 592.1164 |
| Heavy Atoms | 38 |
| Complexity | 686.0 |
Chemical Identifiers
| CAS Number | 97635-31-9 |
|---|---|
| SMILES | C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C(=O)[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] |
| InChIKey | YPCRNBPOUVJVMU-LCGAVOCYSA-L |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(4-O-beta-D-Galactopyranosyl-D-gluconato-O1)(D-gluconato-O1)calcium (CAS 97635-31-9), with molecular formula C18H32CaO19 and molecular weight 592.12 g/mol. IUPAC: calcium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate;(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoate.
Chemical Property Profile of (4-O-beta-D-Galactopyranosyl-D-gluconato-O1)(D-gluconato-O1)calcium
Property Insights of (4-O-beta-D-Galactopyranosyl-D-gluconato-O1)(D-gluconato-O1)calcium
The XLogP value of -12.21 indicates that (4-O-beta-D-Galactopyranosyl-D-gluconato-O1)(D-gluconato-O1)calcium is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 362.0 Ų indicates high polarity, suggesting (4-O-beta-D-Galactopyranosyl-D-gluconato-O1)(D-gluconato-O1)calcium may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (4-O-beta-D-Galactopyranosyl-D-gluconato-O1)(D-gluconato-O1)calcium has 13 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (4-O-beta-D-Galactopyranosyl-D-gluconato-O1)(D-gluconato-O1)calcium?
The CAS number of (4-O-beta-D-Galactopyranosyl-D-gluconato-O1)(D-gluconato-O1)calcium is 97635-31-9.
What is the molecular formula of (4-O-beta-D-Galactopyranosyl-D-gluconato-O1)(D-gluconato-O1)calcium?
The molecular formula of (4-O-beta-D-Galactopyranosyl-D-gluconato-O1)(D-gluconato-O1)calcium is C18H32CaO19.
What is the molecular weight of (4-O-beta-D-Galactopyranosyl-D-gluconato-O1)(D-gluconato-O1)calcium?
The molecular weight of (4-O-beta-D-Galactopyranosyl-D-gluconato-O1)(D-gluconato-O1)calcium is 592.12 g/mol.
Where can I buy (4-O-beta-D-Galactopyranosyl-D-gluconato-O1)(D-gluconato-O1)calcium?
You can request a quote for (4-O-beta-D-Galactopyranosyl-D-gluconato-O1)(D-gluconato-O1)calcium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-O-beta-D-Galactopyranosyl-D-gluconato-O1)(D-gluconato-O1)calcium?
Yes, KEHONG BIO provides custom synthesis services for (4-O-beta-D-Galactopyranosyl-D-gluconato-O1)(D-gluconato-O1)calcium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.