Hexacalcium cyclohexane-1,2,3,4,5,6-hexayl hexakis(phosphate)
TL;DR: Hexacalcium cyclohexane-1,2,3,4,5,6-hexayl hexakis(phosphate) (CAS 7776-28-5) is a chemical compound with molecular formula C6H6Ca6O24P6 and molecular weight 887.543 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
hexacalcium;(2,3,4,5,6-pentaphosphonatooxycyclohexyl) phosphate
Also Known As: CALCIUM PHYTATE, Phytin, Calcium fytate, Calciumphytate, Inositocalcium
Technical Specifications
| Molecular Formula | C6H6Ca6O24P6 |
| Molecular Weight | 887.543 g/mol |
| XLogP | -13.0 |
| Topological Polar Surface Area (TPSA) | 435.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 24 |
| Rotatable Bonds | 6 |
| Exact Mass | 887.543 Da |
| Heavy Atoms | 42 |
| Complexity | 749.0 |
| SMILES | C1(C(C(C(C(C1OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2] |
| InChIKey | WPEXVRDUEAJUGY-UHFFFAOYSA-B |
Product Description
Applications: Hexacalcium cyclohexane-1,2,3,4,5,6-hexayl hexakis(phosphate) is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A fine chemical supplied by CoreyChem, Hexacalcium cyclohexane-1,2,3,4,5,6-hexayl hexakis(phosphate) (CAS 7776-28-5) has the molecular formula C6H6Ca6O24P6 and a molecular weight of 887.54 g/mol. Synonyms include CALCIUM PHYTATE and Phytin.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Hexacalcium cyclohexane-1,2,3,4,5,6-hexayl hexakis(phosphate)
Property Insights of Hexacalcium cyclohexane-1,2,3,4,5,6-hexayl hexakis(phosphate)
The XLogP value of -13.0 indicates that Hexacalcium cyclohexane-1,2,3,4,5,6-hexayl hexakis(phosphate) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 435.0 Ų indicates high polarity, suggesting Hexacalcium cyclohexane-1,2,3,4,5,6-hexayl hexakis(phosphate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hexacalcium cyclohexane-1,2,3,4,5,6-hexayl hexakis(phosphate) has 0 hydrogen bond donor(s) and 24 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Hexacalcium cyclohexane-1,2,3,4,5,6-hexayl hexakis(phosphate)?
The CAS number of Hexacalcium cyclohexane-1,2,3,4,5,6-hexayl hexakis(phosphate) is 7776-28-5.
What is the molecular formula of Hexacalcium cyclohexane-1,2,3,4,5,6-hexayl hexakis(phosphate)?
The molecular formula of Hexacalcium cyclohexane-1,2,3,4,5,6-hexayl hexakis(phosphate) is C6H6Ca6O24P6.
What is the molecular weight of Hexacalcium cyclohexane-1,2,3,4,5,6-hexayl hexakis(phosphate)?
The molecular weight of Hexacalcium cyclohexane-1,2,3,4,5,6-hexayl hexakis(phosphate) is 887.543 g/mol.
What are the applications of Hexacalcium cyclohexane-1,2,3,4,5,6-hexayl hexakis(phosphate)?
Hexacalcium cyclohexane-1,2,3,4,5,6-hexayl hexakis(phosphate) is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full...
Where can I buy Hexacalcium cyclohexane-1,2,3,4,5,6-hexayl hexakis(phosphate)?
You can request a quote for Hexacalcium cyclohexane-1,2,3,4,5,6-hexayl hexakis(phosphate) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Hexacalcium cyclohexane-1,2,3,4,5,6-hexayl hexakis(phosphate)?
Yes, CoreyChem provides custom synthesis services for Hexacalcium cyclohexane-1,2,3,4,5,6-hexayl hexakis(phosphate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.