果糖1-(钡磷酸酯)
TL;DR: 果糖1-(钡磷酸酯) (CAS 53823-70-4) is a chemical compound with molecular formula C6H11BaO9P and molecular weight 395.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
果糖1-(钡磷酸酯)
barium(2+);[(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexyl] phosphate
Also Known As: Fructose 1-(barium phosphate), starbld0009595, barium 1-o-phosphonato-d-fructose, Fructose-1-phosphate Barium Salt, D-Fructose-1-phosphatebarium salt
| Molecular Formula | C6H11BaO9P |
|---|---|
| Molecular Weight | 395.92 g/mol |
| LogP | -4.9 |
| Topological Polar Surface Area | 170.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 395.9193 |
| Heavy Atoms | 17 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 53823-70-4 |
|---|---|
| SMILES | C([C@H]([C@H]([C@@H](C(=O)COP(=O)([O-])[O-])O)O)O)O.[Ba+2] |
| InChIKey | PVYXSCGRJSOHGH-BAOOBMCLSA-L |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
果糖1-(钡磷酸酯) (CAS 53823-70-4), with molecular formula C6H11BaO9P and molecular weight 395.92 g/mol. IUPAC: barium(2+);[(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexyl] phosphate.
Chemical Property Profile of 果糖1-(钡磷酸酯)
Property Insights of 果糖1-(钡磷酸酯)
The XLogP value of -4.9 indicates that 果糖1-(钡磷酸酯) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 170.0 Ų indicates high polarity, suggesting 果糖1-(钡磷酸酯) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 果糖1-(钡磷酸酯) has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 果糖1-(钡磷酸酯)?
The CAS number of 果糖1-(钡磷酸酯) is 53823-70-4.
What is the molecular formula of 果糖1-(钡磷酸酯)?
The molecular formula of 果糖1-(钡磷酸酯) is C6H11BaO9P.
What is the molecular weight of 果糖1-(钡磷酸酯)?
The molecular weight of 果糖1-(钡磷酸酯) is 395.92 g/mol.
Where can I buy 果糖1-(钡磷酸酯)?
You can request a quote for 果糖1-(钡磷酸酯) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 果糖1-(钡磷酸酯)?
Yes, KEHONG BIO provides custom synthesis services for 果糖1-(钡磷酸酯) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.