myo-Inositol, 1,3,4-tris(dihydrogen phosphate)
TL;DR: myo-Inositol, 1,3,4-tris(dihydrogen phosphate) (CAS 93133-75-6) 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.
[(1R,2S,3S,4R,5R,6R)-2,3,5-trihydroxy-4,6-diphosphonooxycyclohexyl] dihydrogen phosphate
Also Known As: inositol 1,3,4-trisphosphate, Inositol 1,3,4-triphosphate, 1,3,4-Itp, I0146_SIGMA, myo-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 | 93133-75-6 |
|---|---|
| SMILES | [C@@H]1([C@@H]([C@H]([C@@H]([C@@H]([C@@H]1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O |
| InChIKey | MMWCIQZXVOZEGG-NCGNNJKGSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
myo-Inositol, 1,3,4-tris(dihydrogen phosphate) (CAS 93133-75-6), with molecular formula C6H15O15P3 and molecular weight 419.96 g/mol. IUPAC: [(1R,2S,3S,4R,5R,6R)-2,3,5-trihydroxy-4,6-diphosphonooxycyclohexyl] dihydrogen phosphate.
Chemical Property Profile of myo-Inositol, 1,3,4-tris(dihydrogen phosphate)
Property Insights of myo-Inositol, 1,3,4-tris(dihydrogen phosphate)
The XLogP value of -7.0 indicates that myo-Inositol, 1,3,4-tris(dihydrogen phosphate) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 261.0 Ų indicates high polarity, suggesting myo-Inositol, 1,3,4-tris(dihydrogen phosphate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, myo-Inositol, 1,3,4-tris(dihydrogen phosphate) 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 myo-Inositol, 1,3,4-tris(dihydrogen phosphate)?
The CAS number of myo-Inositol, 1,3,4-tris(dihydrogen phosphate) is 93133-75-6.
What is the molecular formula of myo-Inositol, 1,3,4-tris(dihydrogen phosphate)?
The molecular formula of myo-Inositol, 1,3,4-tris(dihydrogen phosphate) is C6H15O15P3.
What is the molecular weight of myo-Inositol, 1,3,4-tris(dihydrogen phosphate)?
The molecular weight of myo-Inositol, 1,3,4-tris(dihydrogen phosphate) is 419.96 g/mol.
Where can I buy myo-Inositol, 1,3,4-tris(dihydrogen phosphate)?
You can request a quote for myo-Inositol, 1,3,4-tris(dihydrogen phosphate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for myo-Inositol, 1,3,4-tris(dihydrogen phosphate)?
Yes, KEHONG BIO provides custom synthesis services for myo-Inositol, 1,3,4-tris(dihydrogen phosphate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.