Barium N-acetylneuraminate
TL;DR: Barium N-acetylneuraminate (CAS 114767-11-2) is a chemical compound with molecular formula C22H36BaN2O18 and molecular weight 754.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((2R,3R)-3-[(2R,3R,4S,6S)-3-acetamido-6-carboxy-4,6-dihydroxyoxan-2-yl]-2,3-dihydroxypropan-1-olate);barium(2+)
Also Known As: Barium N-acetylneuraminate, N-Acetylneuraminic barium salt, D-glycero-beta-D-galacto-2-Nonulopyranosonic acid, 5-(acetylamino)-3,5-dideoxy-, barium salt (2:1), (2R,3R)-3-[(2R,3R,4S,6S)-3-acetamido-6-carboxy-4,6-dihydroxyoxan-2-yl]-2,3-dihydroxypropan-1-olate; barium(2+), RefChem:1082903
| Molecular Formula | C22H36BaN2O18 |
|---|---|
| Molecular Weight | 754.10 g/mol |
| LogP | -9.3884 |
| Topological Polar Surface Area | 359.22 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 10 |
| Exact Mass | 754.10156 |
| Heavy Atoms | 43 |
| Complexity | 887.16235 |
Chemical Identifiers
| CAS Number | 114767-11-2 |
|---|---|
| SMILES | CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](C[O-])O)O)(C(=O)O)O)O.CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](C[O-])O)O)(C(=O)O)O)O.[Ba+2] |
Product Overview
Barium N-acetylneuraminate (CAS 114767-11-2), with molecular formula C22H36BaN2O18 and molecular weight 754.10 g/mol. IUPAC: bis((2R,3R)-3-[(2R,3R,4S,6S)-3-acetamido-6-carboxy-4,6-dihydroxyoxan-2-yl]-2,3-dihydroxypropan-1-olate);barium(2+).
Chemical Property Profile of Barium N-acetylneuraminate
Property Insights of Barium N-acetylneuraminate
The XLogP value of -9.3884 indicates that Barium N-acetylneuraminate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 359.22 Ų indicates high polarity, suggesting Barium N-acetylneuraminate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Barium N-acetylneuraminate has 12 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Barium N-acetylneuraminate?
The CAS number of Barium N-acetylneuraminate is 114767-11-2.
What is the molecular formula of Barium N-acetylneuraminate?
The molecular formula of Barium N-acetylneuraminate is C22H36BaN2O18.
What is the molecular weight of Barium N-acetylneuraminate?
The molecular weight of Barium N-acetylneuraminate is 754.10 g/mol.
Where can I buy Barium N-acetylneuraminate?
You can request a quote for Barium N-acetylneuraminate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Barium N-acetylneuraminate?
Yes, KEHONG BIO provides custom synthesis services for Barium N-acetylneuraminate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.