Pentasodium;1,1,2,3,4-pentaphosphonatobutane-1,2,4-tricarboxylate
TL;DR: Pentasodium;1,1,2,3,4-pentaphosphonatobutane-1,2,4-tricarboxylate (CAS 67170-90-5) is a chemical compound with molecular formula C7H2Na5O21P5-8 and molecular weight 691.73 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentasodium;1,1,2,3,4-pentaphosphonatobutane-1,2,4-tricarboxylate
Also Known As: pentasodium 1,1,2,3,4-pentaphosphonatobutane-1,2,4-tricarboxylate
| Molecular Formula | C7H2Na5O21P5-8 |
|---|---|
| Molecular Weight | 691.73 g/mol |
| LogP | -29.0031 |
| Topological Polar Surface Area | 436.34 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 11 |
| Exact Mass | 691.7265 |
| Heavy Atoms | 38 |
| Complexity | 1073.6294 |
Chemical Identifiers
| CAS Number | 67170-90-5 |
|---|---|
| SMILES | C(C(C(C(=O)[O-])(C(C(=O)[O-])(P(=O)([O-])[O-])P(=O)([O-])[O-])P(=O)([O-])[O-])P(=O)([O-])[O-])(C(=O)[O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+] |
Product Overview
Pentasodium;1,1,2,3,4-pentaphosphonatobutane-1,2,4-tricarboxylate (CAS 67170-90-5), with molecular formula C7H2Na5O21P5-8 and molecular weight 691.73 g/mol. IUPAC: pentasodium;1,1,2,3,4-pentaphosphonatobutane-1,2,4-tricarboxylate.
Chemical Property Profile of Pentasodium;1,1,2,3,4-pentaphosphonatobutane-1,2,4-tricarboxylate
Property Insights of Pentasodium;1,1,2,3,4-pentaphosphonatobutane-1,2,4-tricarboxylate
The XLogP value of -29.0031 indicates that Pentasodium;1,1,2,3,4-pentaphosphonatobutane-1,2,4-tricarboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 436.34 Ų indicates high polarity, suggesting Pentasodium;1,1,2,3,4-pentaphosphonatobutane-1,2,4-tricarboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pentasodium;1,1,2,3,4-pentaphosphonatobutane-1,2,4-tricarboxylate has 0 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pentasodium;1,1,2,3,4-pentaphosphonatobutane-1,2,4-tricarboxylate?
The CAS number of Pentasodium;1,1,2,3,4-pentaphosphonatobutane-1,2,4-tricarboxylate is 67170-90-5.
What is the molecular formula of Pentasodium;1,1,2,3,4-pentaphosphonatobutane-1,2,4-tricarboxylate?
The molecular formula of Pentasodium;1,1,2,3,4-pentaphosphonatobutane-1,2,4-tricarboxylate is C7H2Na5O21P5-8.
What is the molecular weight of Pentasodium;1,1,2,3,4-pentaphosphonatobutane-1,2,4-tricarboxylate?
The molecular weight of Pentasodium;1,1,2,3,4-pentaphosphonatobutane-1,2,4-tricarboxylate is 691.73 g/mol.
Where can I buy Pentasodium;1,1,2,3,4-pentaphosphonatobutane-1,2,4-tricarboxylate?
You can request a quote for Pentasodium;1,1,2,3,4-pentaphosphonatobutane-1,2,4-tricarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentasodium;1,1,2,3,4-pentaphosphonatobutane-1,2,4-tricarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Pentasodium;1,1,2,3,4-pentaphosphonatobutane-1,2,4-tricarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.