葡萄糖6-磷酸钡
TL;DR: 葡萄糖6-磷酸钡 (CAS 5996-16-7) 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.
葡萄糖6-磷酸钡
barium(2+);[(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] phosphate
Also Known As: Barium glucose 6-phosphate, barium glucose-6-phosphate, D-Glucose-6-phosphate Barium Salt, Galactose 6-(barium phosphate), barium 6-o-phosphonato-d-glucose
| Molecular Formula | C6H11BaO9P |
|---|---|
| Molecular Weight | 395.92 g/mol |
| LogP | -4.91 |
| 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 | 251.0 |
Chemical Identifiers
| CAS Number | 5996-16-7 |
|---|---|
| SMILES | C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)OP(=O)([O-])[O-].[Ba+2] |
| InChIKey | KJWDCDDLVOHIBC-BTVCFUMJSA-L |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
葡萄糖6-磷酸钡 (CAS 5996-16-7), with molecular formula C6H11BaO9P and molecular weight 395.92 g/mol. IUPAC: barium(2+);[(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] phosphate.
Chemical Property Profile of 葡萄糖6-磷酸钡
Property Insights of 葡萄糖6-磷酸钡
The XLogP value of -4.91 indicates that 葡萄糖6-磷酸钡 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 170.0 Ų indicates high polarity, suggesting 葡萄糖6-磷酸钡 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 葡萄糖6-磷酸钡 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 葡萄糖6-磷酸钡?
The CAS number of 葡萄糖6-磷酸钡 is 5996-16-7.
What is the molecular formula of 葡萄糖6-磷酸钡?
The molecular formula of 葡萄糖6-磷酸钡 is C6H11BaO9P.
What is the molecular weight of 葡萄糖6-磷酸钡?
The molecular weight of 葡萄糖6-磷酸钡 is 395.92 g/mol.
Where can I buy 葡萄糖6-磷酸钡?
You can request a quote for 葡萄糖6-磷酸钡 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 葡萄糖6-磷酸钡?
Yes, KEHONG BIO provides custom synthesis services for 葡萄糖6-磷酸钡 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.