Gerberin
TL;DR: Gerberin (CAS 125445-59-2) is a chemical compound with molecular formula C12H18O8 and molecular weight 290.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydropyran-6-one
Also Known As: Gerberin, Gerberi, (2S)-2-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydropyran-6-one, (2S)-2-Methyl-6-oxo-3,6-dihydro-2H-pyran-4-yl beta-D-glucopyranoside, (6S)-5,6-Dihydro-4-[(beta-D-glucopyranosyl)oxy]-6-methyl-2H-pyran-2-one
| Molecular Formula | C12H18O8 |
|---|---|
| Molecular Weight | 290.10 g/mol |
| LogP | -1.9778 |
| Topological Polar Surface Area | 125.68 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 290.10016 |
| Heavy Atoms | 20 |
| Complexity | 392.91855 |
Chemical Identifiers
| CAS Number | 125445-59-2 |
|---|---|
| SMILES | C[C@H]1CC(=CC(=O)O1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O |
Product Overview
Gerberin (CAS 125445-59-2), with molecular formula C12H18O8 and molecular weight 290.10 g/mol. IUPAC: (2S)-2-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydropyran-6-one.
Chemical Property Profile of Gerberin
Property Insights of Gerberin
The XLogP value of -1.9778 indicates that Gerberin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 125.68 Ų falls within the moderate polarity range, balancing permeability and solubility for Gerberin. Following Lipinski's Rule of Five, Gerberin has 4 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 Gerberin?
The CAS number of Gerberin is 125445-59-2.
What is the molecular formula of Gerberin?
The molecular formula of Gerberin is C12H18O8.
What is the molecular weight of Gerberin?
The molecular weight of Gerberin is 290.10 g/mol.
Where can I buy Gerberin?
You can request a quote for Gerberin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gerberin?
Yes, KEHONG BIO provides custom synthesis services for Gerberin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.