Phytate
TL;DR: Phytate (CAS 7205-52-9) is a chemical compound with molecular formula C6H9Na9O24P6 and molecular weight 857.70 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
nonasodium;[2,3,4-tris[[hydroxy(oxido)phosphoryl]oxy]-5,6-diphosphonatooxycyclohexyl] phosphate
Also Known As: Phytate, PHYTATE SODIUM, Phytate sodium [USAN], myo-Inositol, hexakis(dihydrogen phosphate), nonasodium salt, Inositol, hexakis(dihydrogen phosphate), nonasodium salt, myo-
| Molecular Formula | C6H9Na9O24P6 |
|---|---|
| Molecular Weight | 857.70 g/mol |
| LogP | -35.78 |
| Topological Polar Surface Area | 426.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 24 |
| Rotatable Bonds | 9 |
| Exact Mass | 857.69885 |
| Heavy Atoms | 45 |
| Complexity | 946.0 |
Chemical Identifiers
| CAS Number | 7205-52-9 |
|---|---|
| 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-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+] |
| InChIKey | FENRSEGZMITUEF-UHFFFAOYSA-E |
Product Overview
Phytate (CAS 7205-52-9), with molecular formula C6H9Na9O24P6 and molecular weight 857.70 g/mol. IUPAC: nonasodium;[2,3,4-tris[[hydroxy(oxido)phosphoryl]oxy]-5,6-diphosphonatooxycyclohexyl] phosphate.
Chemical Property Profile of Phytate
Property Insights of Phytate
The XLogP value of -35.78 indicates that Phytate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 426.0 Ų indicates high polarity, suggesting Phytate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phytate has 3 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 Phytate?
The CAS number of Phytate is 7205-52-9.
What is the molecular formula of Phytate?
The molecular formula of Phytate is C6H9Na9O24P6.
What is the molecular weight of Phytate?
The molecular weight of Phytate is 857.70 g/mol.
Where can I buy Phytate?
You can request a quote for Phytate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phytate?
Yes, KEHONG BIO provides custom synthesis services for Phytate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.