Gerberinside
TL;DR: Gerberinside (CAS 76474-54-9) is a chemical compound with molecular formula C16H18O8 and molecular weight 338.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
Also Known As: Gerberinside, 5-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one, 2H-1-Benzopyran-2-one, 4-(beta-D-glucopyranosyloxy)-5-methyl-, 5-Methyl-2-oxo-2H-1-benzopyran-4-yl beta-D-glucopyranoside, 5-methyl-4-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxychromen-2-one
| Molecular Formula | C16H18O8 |
|---|---|
| Molecular Weight | 338.10 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 338.10016 |
| Heavy Atoms | 24 |
| Complexity | 506.0 |
Chemical Identifiers
| CAS Number | 76474-54-9 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)OC(=O)C=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
| InChIKey | DXBGTODWNFZHCD-LMXXTMHSSA-N |
Product Overview
Gerberinside (CAS 76474-54-9), with molecular formula C16H18O8 and molecular weight 338.10 g/mol. IUPAC: 5-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one.
Chemical Property Profile of Gerberinside
Property Insights of Gerberinside
The XLogP value of -0.2 indicates that Gerberinside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Gerberinside. Following Lipinski's Rule of Five, Gerberinside 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 Gerberinside?
The CAS number of Gerberinside is 76474-54-9.
What is the molecular formula of Gerberinside?
The molecular formula of Gerberinside is C16H18O8.
What is the molecular weight of Gerberinside?
The molecular weight of Gerberinside is 338.10 g/mol.
Where can I buy Gerberinside?
You can request a quote for Gerberinside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gerberinside?
Yes, KEHONG BIO provides custom synthesis services for Gerberinside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.