(2,3,5-三羟基-4,6-二磷酰氧基环己基)磷酸二氢酯
TL;DR: (2,3,5-三羟基-4,6-二磷酰氧基环己基)磷酸二氢酯 (CAS 93133-76-7) is a chemical compound with molecular formula C6H15O15P3 and molecular weight 419.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3,5-三羟基-4,6-二磷酰氧基环己基)磷酸二氢酯
(2,3,5-trihydroxy-4,6-diphosphonooxycyclohexyl) dihydrogen phosphate
Also Known As: PHOSPHONICACID, Dibrenzcatechinato-borsaeure, Inositol 1,3,4-triphosphate, I0146_SIGMA, inositol 1,3,4-trisphosphate
| Molecular Formula | C6H15O15P3 |
|---|---|
| Molecular Weight | 419.96 g/mol |
| LogP | -7.0 |
| Topological Polar Surface Area | 261.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.96237 |
| Heavy Atoms | 24 |
| Complexity | 574.0 |
Chemical Identifiers
| CAS Number | 93133-76-7 |
|---|---|
| SMILES | C1(C(C(C(C(C1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O |
| InChIKey | MMWCIQZXVOZEGG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2,3,5-三羟基-4,6-二磷酰氧基环己基)磷酸二氢酯 (CAS 93133-76-7), with molecular formula C6H15O15P3 and molecular weight 419.96 g/mol. IUPAC: (2,3,5-trihydroxy-4,6-diphosphonooxycyclohexyl) dihydrogen phosphate.
Chemical Property Profile of (2,3,5-三羟基-4,6-二磷酰氧基环己基)磷酸二氢酯
Property Insights of (2,3,5-三羟基-4,6-二磷酰氧基环己基)磷酸二氢酯
The XLogP value of -7.0 indicates that (2,3,5-三羟基-4,6-二磷酰氧基环己基)磷酸二氢酯 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 261.0 Ų indicates high polarity, suggesting (2,3,5-三羟基-4,6-二磷酰氧基环己基)磷酸二氢酯 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (2,3,5-三羟基-4,6-二磷酰氧基环己基)磷酸二氢酯 has 9 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2,3,5-三羟基-4,6-二磷酰氧基环己基)磷酸二氢酯?
The CAS number of (2,3,5-三羟基-4,6-二磷酰氧基环己基)磷酸二氢酯 is 93133-76-7.
What is the molecular formula of (2,3,5-三羟基-4,6-二磷酰氧基环己基)磷酸二氢酯?
The molecular formula of (2,3,5-三羟基-4,6-二磷酰氧基环己基)磷酸二氢酯 is C6H15O15P3.
What is the molecular weight of (2,3,5-三羟基-4,6-二磷酰氧基环己基)磷酸二氢酯?
The molecular weight of (2,3,5-三羟基-4,6-二磷酰氧基环己基)磷酸二氢酯 is 419.96 g/mol.
Where can I buy (2,3,5-三羟基-4,6-二磷酰氧基环己基)磷酸二氢酯?
You can request a quote for (2,3,5-三羟基-4,6-二磷酰氧基环己基)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 (2,3,5-三羟基-4,6-二磷酰氧基环己基)磷酸二氢酯?
Yes, KEHONG BIO provides custom synthesis services for (2,3,5-三羟基-4,6-二磷酰氧基环己基)磷酸二氢酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.