myo-Inositol, 2-deoxy-2,2-difluoro-, 1,4,5-tris(dihydrogen phosphate)
TL;DR: myo-Inositol, 2-deoxy-2,2-difluoro-, 1,4,5-tris(dihydrogen phosphate) (CAS 132489-33-9) is a chemical compound with molecular formula C6H13F2O14P3 and molecular weight 439.9486 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2,2-difluoro-3,6-dihydroxy-4,5-diphosphonooxycyclohexyl) dihydrogen phosphate
Also Known As: 2,2-F-IP3, (2S)-2-phenylmethoxypentan-3-one, 2,2-Difluoro-2-deoxy-inositol 1,4,5-trisphosphate, (2,2-difluoro-3,6-dihydroxy-4,5-diphosphonooxycyclohexyl) dihydrogen phosphate, DL-2,2-Difluoro-2-deoxy-myo-inositol 1,4,5-trisphosphate
Technical Specifications
| Molecular Formula | C6H13F2O14P3 |
| Molecular Weight | 439.9486 g/mol |
| XLogP | -5.7 |
| Topological Polar Surface Area (TPSA) | 241.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 6 |
| Exact Mass | 439.9486 Da |
| Heavy Atoms | 25 |
| Complexity | 622.0 |
| SMILES | C1(C(C(C(C(C1OP(=O)(O)O)(F)F)O)OP(=O)(O)O)OP(=O)(O)O)O |
| InChIKey | JEHSVQICCQDKLQ-UHFFFAOYSA-N |
Chemical Property Profile of myo-Inositol, 2-deoxy-2,2-difluoro-, 1,4,5-tris(dihydrogen phosphate)
Property Insights of myo-Inositol, 2-deoxy-2,2-difluoro-, 1,4,5-tris(dihydrogen phosphate)
The XLogP value of -5.7 indicates that myo-Inositol, 2-deoxy-2,2-difluoro-, 1,4,5-tris(dihydrogen phosphate) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 241.0 Ų indicates high polarity, suggesting myo-Inositol, 2-deoxy-2,2-difluoro-, 1,4,5-tris(dihydrogen phosphate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, myo-Inositol, 2-deoxy-2,2-difluoro-, 1,4,5-tris(dihydrogen phosphate) has 8 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of myo-Inositol, 2-deoxy-2,2-difluoro-, 1,4,5-tris(dihydrogen phosphate)?
The CAS number of myo-Inositol, 2-deoxy-2,2-difluoro-, 1,4,5-tris(dihydrogen phosphate) is 132489-33-9.
What is the molecular formula of myo-Inositol, 2-deoxy-2,2-difluoro-, 1,4,5-tris(dihydrogen phosphate)?
The molecular formula of myo-Inositol, 2-deoxy-2,2-difluoro-, 1,4,5-tris(dihydrogen phosphate) is C6H13F2O14P3.
What is the molecular weight of myo-Inositol, 2-deoxy-2,2-difluoro-, 1,4,5-tris(dihydrogen phosphate)?
The molecular weight of myo-Inositol, 2-deoxy-2,2-difluoro-, 1,4,5-tris(dihydrogen phosphate) is 439.9486 g/mol.
Where can I buy myo-Inositol, 2-deoxy-2,2-difluoro-, 1,4,5-tris(dihydrogen phosphate)?
You can request a quote for myo-Inositol, 2-deoxy-2,2-difluoro-, 1,4,5-tris(dihydrogen phosphate) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for myo-Inositol, 2-deoxy-2,2-difluoro-, 1,4,5-tris(dihydrogen phosphate)?
Yes, CoreyChem provides custom synthesis services for myo-Inositol, 2-deoxy-2,2-difluoro-, 1,4,5-tris(dihydrogen phosphate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.