Calcium fructoborate
TL;DR: Calcium fructoborate (CAS 250141-42-5) is a chemical compound with molecular formula C24H40B2CaO24 and molecular weight 774.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis((1S,1'S,5R,5'R,7R,7'R,8S,8'S)-5,5',7,7'-tetrakis(hydroxymethyl)-3,3'-spirobi[2,4,6-trioxa-3-boranuidabicyclo[3.3.0]octane]-8,8'-diol)
Also Known As: Calcium fructoborate, Fruitex-B, CaFB, Calcium Fructoborate, food grade, CALCIUM FRUCTOBORATE [WHO-DD]
| Molecular Formula | C24H40B2CaO24 |
|---|---|
| Molecular Weight | 774.17 g/mol |
| LogP | -10.1128 |
| Topological Polar Surface Area | 353.52 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 24 |
| Rotatable Bonds | 8 |
| Exact Mass | 774.1722 |
| Heavy Atoms | 51 |
| Complexity | 1079.5509 |
Chemical Identifiers
| CAS Number | 250141-42-5 |
|---|---|
| SMILES | [B-]12(O[C@H]3[C@@H]([C@H](O[C@]3(O1)CO)CO)O)O[C@H]4[C@@H]([C@H](O[C@]4(O2)CO)CO)O.[B-]12(O[C@H]3[C@@H]([C@H](O[C@]3(O1)CO)CO)O)O[C@H]4[C@@H]([C@H](O[C@]4(O2)CO)CO)O.[Ca+2] |
Product Overview
Calcium fructoborate (CAS 250141-42-5), with molecular formula C24H40B2CaO24 and molecular weight 774.17 g/mol. IUPAC: calcium bis((1S,1'S,5R,5'R,7R,7'R,8S,8'S)-5,5',7,7'-tetrakis(hydroxymethyl)-3,3'-spirobi[2,4,6-trioxa-3-boranuidabicyclo[3.3.0]octane]-8,8'-diol).
Chemical Property Profile of Calcium fructoborate
Property Insights of Calcium fructoborate
The XLogP value of -10.1128 indicates that Calcium fructoborate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 353.52 Ų indicates high polarity, suggesting Calcium fructoborate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Calcium fructoborate has 12 hydrogen bond donor(s) and 24 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Calcium fructoborate?
The CAS number of Calcium fructoborate is 250141-42-5.
What is the molecular formula of Calcium fructoborate?
The molecular formula of Calcium fructoborate is C24H40B2CaO24.
What is the molecular weight of Calcium fructoborate?
The molecular weight of Calcium fructoborate is 774.17 g/mol.
Where can I buy Calcium fructoborate?
You can request a quote for Calcium fructoborate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calcium fructoborate?
Yes, KEHONG BIO provides custom synthesis services for Calcium fructoborate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.