(2,5-Dihydroxy-3,4,6-triphosphonooxycyclohexyl) dihydrogen phosphate
TL;DR: (2,5-Dihydroxy-3,4,6-triphosphonooxycyclohexyl) dihydrogen phosphate (CAS 110298-84-5) is a chemical compound with molecular formula C6H16O18P4 and molecular weight 499.9287 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2,5-dihydroxy-3,4,6-triphosphonooxycyclohexyl) dihydrogen phosphate
Also Known As: 1,5,6-IP3 sodium salt, Ins(1,5,6)-P3 sodium salt, 1,2,4,5-InsP4, D-myo-Inositol-1,3,4,6-tetraphosphate, Inositol-1,3,4,6-tetraphosphate
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H16O18P4 |
| Molecular Weight | 499.9287 g/mol |
| XLogP | -8.1 |
| Topological Polar Surface Area (TPSA) | 308.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 8 |
| Exact Mass | 499.9287 Da |
| Heavy Atoms | 28 |
| Complexity | 604.0 |
| SMILES | C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O |
| InChIKey | ZAWIXNGTTZTBKV-UHFFFAOYSA-N |
Product Description
Applications: (2,5-Dihydroxy-3,4,6-triphosphonooxycyclohexyl) dihydrogen phosphate is used in pharmaceutical synthesis routes and API production, as well as organometallic chemistry, cross-coupling reactions, and metal-mediated transformations. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies (2,5-Dihydroxy-3,4,6-triphosphonooxycyclohexyl) dihydrogen phosphate (CAS 110298-84-5) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
(2,5-Dihydroxy-3,4,6-triphosphonooxycyclohexyl) dihydrogen phosphate is a pharmaceutical intermediate identified by CAS number 110298-84-5 and the molecular formula C6H16O18P4 and a molecular weight of 499.93 g/mol. It is also known as ACMC-20md6o and 1,5,6-IP3 sodium salt.
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 (2,5-Dihydroxy-3,4,6-triphosphonooxycyclohexyl) dihydrogen phosphate
Property Insights of (2,5-Dihydroxy-3,4,6-triphosphonooxycyclohexyl) dihydrogen phosphate
The XLogP value of -8.1 indicates that (2,5-Dihydroxy-3,4,6-triphosphonooxycyclohexyl) dihydrogen phosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 308.0 Ų indicates high polarity, suggesting (2,5-Dihydroxy-3,4,6-triphosphonooxycyclohexyl) dihydrogen phosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (2,5-Dihydroxy-3,4,6-triphosphonooxycyclohexyl) dihydrogen phosphate has 10 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of (2,5-Dihydroxy-3,4,6-triphosphonooxycyclohexyl) dihydrogen phosphate?
The CAS number of (2,5-Dihydroxy-3,4,6-triphosphonooxycyclohexyl) dihydrogen phosphate is 110298-84-5.
What is the molecular formula of (2,5-Dihydroxy-3,4,6-triphosphonooxycyclohexyl) dihydrogen phosphate?
The molecular formula of (2,5-Dihydroxy-3,4,6-triphosphonooxycyclohexyl) dihydrogen phosphate is C6H16O18P4.
What is the molecular weight of (2,5-Dihydroxy-3,4,6-triphosphonooxycyclohexyl) dihydrogen phosphate?
The molecular weight of (2,5-Dihydroxy-3,4,6-triphosphonooxycyclohexyl) dihydrogen phosphate is 499.9287 g/mol.
What are the applications of (2,5-Dihydroxy-3,4,6-triphosphonooxycyclohexyl) dihydrogen phosphate?
(2,5-Dihydroxy-3,4,6-triphosphonooxycyclohexyl) dihydrogen phosphate is used in pharmaceutical synthesis routes and API production, as well as organometallic chemistry, cross-coupling reactions, and metal-mediated transformations. It commonly serves as a versatile building block for organic...
Where can I buy (2,5-Dihydroxy-3,4,6-triphosphonooxycyclohexyl) dihydrogen phosphate?
You can request a quote for (2,5-Dihydroxy-3,4,6-triphosphonooxycyclohexyl) dihydrogen phosphate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2,5-Dihydroxy-3,4,6-triphosphonooxycyclohexyl) dihydrogen phosphate?
Yes, CoreyChem provides custom synthesis services for (2,5-Dihydroxy-3,4,6-triphosphonooxycyclohexyl) dihydrogen phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.