D-myo-Inositol 3,4,5-triphosphate
TL;DR: D-myo-Inositol 3,4,5-triphosphate (CAS 114488-20-9) 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.
[(1S,2R,4R,5R)-2,3,4-trihydroxy-5,6-diphosphonooxycyclohexyl] dihydrogen phosphate
Also Known As: Atrinositol, D-myo-Inositol 3,4,5-triphosphate, Ins(3,4,5)-P3, myo-Inositol 1,5,6-trisphosphate, D-myo-Inositol-3,4,5-triphosphate
| Molecular Formula | C6H15O15P3 |
|---|---|
| Molecular Weight | 419.96 g/mol |
| LogP | -3.4836 |
| Topological Polar Surface Area | 260.97 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.96237 |
| Heavy Atoms | 24 |
| Complexity | 535.7585 |
Chemical Identifiers
| CAS Number | 114488-20-9 |
|---|---|
| SMILES | [C@@H]1([C@H](C([C@H]([C@@H](C1O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O |
Product Overview
D-myo-Inositol 3,4,5-triphosphate (CAS 114488-20-9), with molecular formula C6H15O15P3 and molecular weight 419.96 g/mol. IUPAC: [(1S,2R,4R,5R)-2,3,4-trihydroxy-5,6-diphosphonooxycyclohexyl] dihydrogen phosphate.
Chemical Property Profile of D-myo-Inositol 3,4,5-triphosphate
Property Insights of D-myo-Inositol 3,4,5-triphosphate
The XLogP value of -3.4836 indicates that D-myo-Inositol 3,4,5-triphosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 260.97 Ų indicates high polarity, suggesting D-myo-Inositol 3,4,5-triphosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, D-myo-Inositol 3,4,5-triphosphate has 9 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of D-myo-Inositol 3,4,5-triphosphate?
The CAS number of D-myo-Inositol 3,4,5-triphosphate is 114488-20-9.
What is the molecular formula of D-myo-Inositol 3,4,5-triphosphate?
The molecular formula of D-myo-Inositol 3,4,5-triphosphate is C6H15O15P3.
What is the molecular weight of D-myo-Inositol 3,4,5-triphosphate?
The molecular weight of D-myo-Inositol 3,4,5-triphosphate is 419.96 g/mol.
Where can I buy D-myo-Inositol 3,4,5-triphosphate?
You can request a quote for D-myo-Inositol 3,4,5-triphosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for D-myo-Inositol 3,4,5-triphosphate?
Yes, KEHONG BIO provides custom synthesis services for D-myo-Inositol 3,4,5-triphosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.