D-myo-Inositol, 3-deoxy-3-fluoro-, 1,4,5-tris(dihydrogen phosphate)
TL;DR: D-myo-Inositol, 3-deoxy-3-fluoro-, 1,4,5-tris(dihydrogen phosphate) (CAS 144371-38-0) is a chemical compound with molecular formula C6H14FO14P3 and molecular weight 421.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2R,3S,4S,5S,6R)-2-fluoro-3,5-dihydroxy-4,6-diphosphonooxycyclohexyl] dihydrogen phosphate
Also Known As: 3-F-Insp3, 3-Deoxy-3-fluoroinositol 1,4,5-trisphosphate, Ins(1,4,5)P(3)F, 3-Deoxy-3-fluoro-ins(1,4,5)P3, 3-Deoxy-3-fluoro-D-myo-inositol 1,4,5-trisphosphate
| Molecular Formula | C6H14FO14P3 |
|---|---|
| Molecular Weight | 421.96 g/mol |
| LogP | -2.5064 |
| Topological Polar Surface Area | 240.74 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 421.95804 |
| Heavy Atoms | 24 |
| Complexity | 579.05884 |
Chemical Identifiers
| CAS Number | 144371-38-0 |
|---|---|
| SMILES | [C@@H]1([C@@H]([C@@H]([C@H]([C@H]([C@@H]1OP(=O)(O)O)OP(=O)(O)O)F)O)OP(=O)(O)O)O |
Product Overview
D-myo-Inositol, 3-deoxy-3-fluoro-, 1,4,5-tris(dihydrogen phosphate) (CAS 144371-38-0), with molecular formula C6H14FO14P3 and molecular weight 421.96 g/mol. IUPAC: [(1S,2R,3S,4S,5S,6R)-2-fluoro-3,5-dihydroxy-4,6-diphosphonooxycyclohexyl] dihydrogen phosphate.
Chemical Property Profile of D-myo-Inositol, 3-deoxy-3-fluoro-, 1,4,5-tris(dihydrogen phosphate)
Property Insights of D-myo-Inositol, 3-deoxy-3-fluoro-, 1,4,5-tris(dihydrogen phosphate)
The XLogP value of -2.5064 indicates that D-myo-Inositol, 3-deoxy-3-fluoro-, 1,4,5-tris(dihydrogen phosphate) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 240.74 Ų indicates high polarity, suggesting D-myo-Inositol, 3-deoxy-3-fluoro-, 1,4,5-tris(dihydrogen phosphate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, D-myo-Inositol, 3-deoxy-3-fluoro-, 1,4,5-tris(dihydrogen phosphate) has 8 hydrogen bond donor(s) and 8 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-deoxy-3-fluoro-, 1,4,5-tris(dihydrogen phosphate)?
The CAS number of D-myo-Inositol, 3-deoxy-3-fluoro-, 1,4,5-tris(dihydrogen phosphate) is 144371-38-0.
What is the molecular formula of D-myo-Inositol, 3-deoxy-3-fluoro-, 1,4,5-tris(dihydrogen phosphate)?
The molecular formula of D-myo-Inositol, 3-deoxy-3-fluoro-, 1,4,5-tris(dihydrogen phosphate) is C6H14FO14P3.
What is the molecular weight of D-myo-Inositol, 3-deoxy-3-fluoro-, 1,4,5-tris(dihydrogen phosphate)?
The molecular weight of D-myo-Inositol, 3-deoxy-3-fluoro-, 1,4,5-tris(dihydrogen phosphate) is 421.96 g/mol.
Where can I buy D-myo-Inositol, 3-deoxy-3-fluoro-, 1,4,5-tris(dihydrogen phosphate)?
You can request a quote for D-myo-Inositol, 3-deoxy-3-fluoro-, 1,4,5-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 D-myo-Inositol, 3-deoxy-3-fluoro-, 1,4,5-tris(dihydrogen phosphate)?
Yes, KEHONG BIO provides custom synthesis services for D-myo-Inositol, 3-deoxy-3-fluoro-, 1,4,5-tris(dihydrogen phosphate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.