(2,5-二羟基-3,4,6-三磷酰氧基环己基)磷酸二氢酯
TL;DR: (2,5-二羟基-3,4,6-三磷酰氧基环己基)磷酸二氢酯 (CAS 110298-84-5) is a chemical compound with molecular formula C6H16O18P4 and molecular weight 499.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,5-二羟基-3,4,6-三磷酰氧基环己基)磷酸二氢酯
(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
| Molecular Formula | C6H16O18P4 |
|---|---|
| Molecular Weight | 499.93 g/mol |
| LogP | -8.1 |
| Topological Polar Surface Area | 308.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 8 |
| Exact Mass | 499.9287 |
| Heavy Atoms | 28 |
| Complexity | 604.0 |
Chemical Identifiers
| CAS Number | 110298-84-5 |
|---|---|
| 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 |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2,5-二羟基-3,4,6-三磷酰氧基环己基)磷酸二氢酯 (CAS 110298-84-5), with molecular formula C6H16O18P4 and molecular weight 499.93 g/mol. IUPAC: (2,5-dihydroxy-3,4,6-triphosphonooxycyclohexyl) dihydrogen phosphate.
Chemical Property Profile of (2,5-二羟基-3,4,6-三磷酰氧基环己基)磷酸二氢酯
Property Insights of (2,5-二羟基-3,4,6-三磷酰氧基环己基)磷酸二氢酯
The XLogP value of -8.1 indicates that (2,5-二羟基-3,4,6-三磷酰氧基环己基)磷酸二氢酯 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 308.0 Ų indicates high polarity, suggesting (2,5-二羟基-3,4,6-三磷酰氧基环己基)磷酸二氢酯 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (2,5-二羟基-3,4,6-三磷酰氧基环己基)磷酸二氢酯 has 10 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2,5-二羟基-3,4,6-三磷酰氧基环己基)磷酸二氢酯?
The CAS number of (2,5-二羟基-3,4,6-三磷酰氧基环己基)磷酸二氢酯 is 110298-84-5.
What is the molecular formula of (2,5-二羟基-3,4,6-三磷酰氧基环己基)磷酸二氢酯?
The molecular formula of (2,5-二羟基-3,4,6-三磷酰氧基环己基)磷酸二氢酯 is C6H16O18P4.
What is the molecular weight of (2,5-二羟基-3,4,6-三磷酰氧基环己基)磷酸二氢酯?
The molecular weight of (2,5-二羟基-3,4,6-三磷酰氧基环己基)磷酸二氢酯 is 499.93 g/mol.
Where can I buy (2,5-二羟基-3,4,6-三磷酰氧基环己基)磷酸二氢酯?
You can request a quote for (2,5-二羟基-3,4,6-三磷酰氧基环己基)磷酸二氢酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,5-二羟基-3,4,6-三磷酰氧基环己基)磷酸二氢酯?
Yes, KEHONG BIO provides custom synthesis services for (2,5-二羟基-3,4,6-三磷酰氧基环己基)磷酸二氢酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.