Atrinositol
TL;DR: Atrinositol (CAS 1311140-98-3) is a chemical compound with molecular formula C6H15O15P3 and molecular weight 419.96237 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(1S,2R,4S,5S)-2,3,4-trihydroxy-5,6-diphosphonooxycyclohexyl] dihydrogen phosphate
Also Known As: Atrinositol, myo-Inositol 1,2,3-trisphosphate, Ins(1,2,3)P3, L-myo-Inositol-1,2,6-triphosphoric acid, [(1S,2R,4S,5S)-2,3,4-Trihydroxy-5,6-diphosphonooxycyclohexyl] dihydrogen phosphate
Technical Specifications
| Molecular Formula | C6H15O15P3 |
| Molecular Weight | 419.96237 g/mol |
| XLogP | -7.0 |
| Topological Polar Surface Area (TPSA) | 261.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.96237 Da |
| Heavy Atoms | 24 |
| Complexity | 536.0 |
| 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-LXOASSSBSA-N |
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
What is the CAS number of Atrinositol?
The CAS number of Atrinositol is 1311140-98-3.
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 419.96237 g/mol.
Where can I buy Atrinositol?
You can request a quote for Atrinositol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Atrinositol?
Yes, CoreyChem provides custom synthesis services for Atrinositol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.