Phloretin 2'-O-glucuronide
TL;DR: Phloretin 2'-O-glucuronide (CAS 123685-24-5) is a chemical compound with molecular formula C21H22O11 and molecular weight 450.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6S)-6-[3,5-dihydroxy-2-[3-(4-hydroxyphenyl)propanoyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Phloretin 2'-O-glucuronide, Phloretin-2'-O-glucuronide, (2S,3S,4S,5R,6S)-6-{3,5-dihydroxy-2-[3-(4-hydroxyphenyl)propanoyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid, (2S,3S,4S,5R,6S)-6-(3,5-dihydroxy-2-(3-(4-hydroxyphenyl)propanoyl)phenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid, (2S,3S,4S,5R,6S)-6-[3,5-dihydroxy-2-[3-(4-hydroxyphenyl)propanoyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
| Molecular Formula | C21H22O11 |
|---|---|
| Molecular Weight | 450.12 g/mol |
| LogP | -0.1101 |
| Topological Polar Surface Area | 194.21 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 450.1162 |
| Heavy Atoms | 32 |
| Complexity | 987.9856 |
Chemical Identifiers
| CAS Number | 123685-24-5 |
|---|---|
| SMILES | C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)O)O |
Product Overview
Phloretin 2'-O-glucuronide (CAS 123685-24-5), with molecular formula C21H22O11 and molecular weight 450.12 g/mol. IUPAC: (2S,3S,4S,5R,6S)-6-[3,5-dihydroxy-2-[3-(4-hydroxyphenyl)propanoyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of Phloretin 2'-O-glucuronide
Property Insights of Phloretin 2'-O-glucuronide
The XLogP value of -0.1101 indicates that Phloretin 2'-O-glucuronide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 194.21 Ų indicates high polarity, suggesting Phloretin 2'-O-glucuronide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phloretin 2'-O-glucuronide has 7 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phloretin 2'-O-glucuronide?
The CAS number of Phloretin 2'-O-glucuronide is 123685-24-5.
What is the molecular formula of Phloretin 2'-O-glucuronide?
The molecular formula of Phloretin 2'-O-glucuronide is C21H22O11.
What is the molecular weight of Phloretin 2'-O-glucuronide?
The molecular weight of Phloretin 2'-O-glucuronide is 450.12 g/mol.
Where can I buy Phloretin 2'-O-glucuronide?
You can request a quote for Phloretin 2'-O-glucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phloretin 2'-O-glucuronide?
Yes, KEHONG BIO provides custom synthesis services for Phloretin 2'-O-glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.