Atrinositol
TL;DR: Atrinositol (CAS 28841-62-5) 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,2R,4S,5R)-2,3,4-trihydroxy-5,6-diphosphonooxycyclohexyl] dihydrogen phosphate
Also Known As: Atrinositol, alpha-Trinositol, Atrinositol [INN], Altrinositol, A-Trinositol
| 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 | 536.0 |
Chemical Identifiers
| CAS Number | 28841-62-5 |
|---|---|
| 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 |
| InChIKey | GKDKOMAJZATYAY-GCVPSNMTSA-N |
Product Overview
Atrinositol (CAS 28841-62-5), with molecular formula C6H15O15P3 and molecular weight 419.96 g/mol. IUPAC: [(1R,2R,4S,5R)-2,3,4-trihydroxy-5,6-diphosphonooxycyclohexyl] dihydrogen phosphate.
Chemical Property Profile of Atrinositol
Property Insights of Atrinositol
The XLogP value of -7.0 indicates that Atrinositol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 261.0 Ų indicates high polarity, suggesting Atrinositol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Atrinositol 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 Atrinositol?
The CAS number of Atrinositol is 28841-62-5.
What is the molecular formula of Atrinositol?
The molecular formula of Atrinositol is C6H15O15P3.
What is the molecular weight of Atrinositol?
The molecular weight of Atrinositol is 419.96 g/mol.
Where can I buy Atrinositol?
You can request a quote for Atrinositol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Atrinositol?
Yes, KEHONG BIO provides custom synthesis services for Atrinositol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.