4-(β-D-吡喃葡萄糖氧基)苯甲酸
TL;DR: 4-(β-D-吡喃葡萄糖氧基)苯甲酸 (CAS 15397-25-8) is a chemical compound with molecular formula C13H16O8 and molecular weight 300.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(β-D-吡喃葡萄糖氧基)苯甲酸
4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid
Also Known As: Gastrodin Impurity 14, Gastrodin Impurity 3, Gastrodin Impurity 15, 4-(beta-D-glucosyloxy)benzoic acid, 4-(beta-D-glucopyranosyloxy)benzoic acid
| Molecular Formula | C13H16O8 |
|---|---|
| Molecular Weight | 300.08 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.0845 |
| Heavy Atoms | 21 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 15397-25-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O |
| InChIKey | XSSDYIMYZONMBL-BZNQNGANSA-N |
Product Overview
4-(β-D-吡喃葡萄糖氧基)苯甲酸 (CAS 15397-25-8), with molecular formula C13H16O8 and molecular weight 300.08 g/mol. IUPAC: 4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid.
Chemical Property Profile of 4-(β-D-吡喃葡萄糖氧基)苯甲酸
Property Insights of 4-(β-D-吡喃葡萄糖氧基)苯甲酸
The XLogP value of -0.8 indicates that 4-(β-D-吡喃葡萄糖氧基)苯甲酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(β-D-吡喃葡萄糖氧基)苯甲酸. Following Lipinski's Rule of Five, 4-(β-D-吡喃葡萄糖氧基)苯甲酸 has 5 hydrogen bond donor(s) and 8 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 4-(β-D-吡喃葡萄糖氧基)苯甲酸?
The CAS number of 4-(β-D-吡喃葡萄糖氧基)苯甲酸 is 15397-25-8.
What is the molecular formula of 4-(β-D-吡喃葡萄糖氧基)苯甲酸?
The molecular formula of 4-(β-D-吡喃葡萄糖氧基)苯甲酸 is C13H16O8.
What is the molecular weight of 4-(β-D-吡喃葡萄糖氧基)苯甲酸?
The molecular weight of 4-(β-D-吡喃葡萄糖氧基)苯甲酸 is 300.08 g/mol.
Where can I buy 4-(β-D-吡喃葡萄糖氧基)苯甲酸?
You can request a quote for 4-(β-D-吡喃葡萄糖氧基)苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(β-D-吡喃葡萄糖氧基)苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 4-(β-D-吡喃葡萄糖氧基)苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.