Phytin
TL;DR: Phytin (CAS 3615-82-5) is a chemical compound with molecular formula C6H6CaMgO24P6-8 and molecular weight 711.72 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Phytin
calcium;magnesium;(2,3,4,5,6-pentaphosphonatooxycyclohexyl) phosphate
Also Known As: Phytin, Inositocalcium, Phytophosphine, Inophosphan, Phytocalcium
| Molecular Formula | C6H6CaMgO24P6-8 |
|---|---|
| Molecular Weight | 711.72 g/mol |
| LogP | -11.48 |
| Topological Polar Surface Area | 435.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 24 |
| Rotatable Bonds | 6 |
| Exact Mass | 711.7151 |
| Heavy Atoms | 38 |
| Complexity | 749.0 |
Chemical Identifiers
| CAS Number | 3615-82-5 |
|---|---|
| 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-].[Mg+2].[Ca+2] |
| InChIKey | JWJNVODPOMYTLT-UHFFFAOYSA-B |
Product Overview
Phytin (CAS 3615-82-5), with molecular formula C6H6CaMgO24P6-8 and molecular weight 711.72 g/mol. IUPAC: calcium;magnesium;(2,3,4,5,6-pentaphosphonatooxycyclohexyl) phosphate.
Chemical Property Profile of Phytin
Property Insights of Phytin
The XLogP value of -11.48 indicates that Phytin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 435.0 Ų indicates high polarity, suggesting Phytin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phytin has 0 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 Phytin?
The CAS number of Phytin is 3615-82-5.
What is the molecular formula of Phytin?
The molecular formula of Phytin is C6H6CaMgO24P6-8.
What is the molecular weight of Phytin?
The molecular weight of Phytin is 711.72 g/mol.
Where can I buy Phytin?
You can request a quote for Phytin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phytin?
Yes, KEHONG BIO provides custom synthesis services for Phytin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.