Procyanidin B-5 3,3'-di-O-gallate
TL;DR: Procyanidin B-5 3,3'-di-O-gallate (CAS 106533-60-2) is a chemical compound with molecular formula C44H34O20 and molecular weight 882.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R)-2-(3,4-dihydroxyphenyl)-6-[(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-3,4-dihydro-2H-chromen-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
Also Known As: Procyanidin B-5 3,3'-di-O-gallate, PROCYANIDINB533DIOGALLATE, Procyanidin B5 3,3'-di-O-gallate, 3,3'-Di-O-galloylprocyanidin B5, procyanidin B5-3,3'-di-gallate
| Molecular Formula | C44H34O20 |
|---|---|
| Molecular Weight | 882.16 g/mol |
| LogP | 4.958 |
| Topological Polar Surface Area | 354.28 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 7 |
| Exact Mass | 882.16437 |
| Heavy Atoms | 64 |
| Complexity | 2862.734 |
Chemical Identifiers
| CAS Number | 106533-60-2 |
|---|---|
| SMILES | C1[C@H]([C@H](OC2=C1C(=C(C(=C2)O)[C@@H]3[C@H]([C@H](OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O)O)C7=CC(=C(C=C7)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O |
Product Overview
Procyanidin B-5 3,3'-di-O-gallate (CAS 106533-60-2), with molecular formula C44H34O20 and molecular weight 882.16 g/mol. IUPAC: [(2R,3R)-2-(3,4-dihydroxyphenyl)-6-[(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-3,4-dihydro-2H-chromen-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate.
Chemical Property Profile of Procyanidin B-5 3,3'-di-O-gallate
Property Insights of Procyanidin B-5 3,3'-di-O-gallate
The XLogP value of 4.958 indicates that Procyanidin B-5 3,3'-di-O-gallate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 354.28 Ų indicates high polarity, suggesting Procyanidin B-5 3,3'-di-O-gallate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Procyanidin B-5 3,3'-di-O-gallate has 14 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Procyanidin B-5 3,3'-di-O-gallate?
The CAS number of Procyanidin B-5 3,3'-di-O-gallate is 106533-60-2.
What is the molecular formula of Procyanidin B-5 3,3'-di-O-gallate?
The molecular formula of Procyanidin B-5 3,3'-di-O-gallate is C44H34O20.
What is the molecular weight of Procyanidin B-5 3,3'-di-O-gallate?
The molecular weight of Procyanidin B-5 3,3'-di-O-gallate is 882.16 g/mol.
Where can I buy Procyanidin B-5 3,3'-di-O-gallate?
You can request a quote for Procyanidin B-5 3,3'-di-O-gallate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Procyanidin B-5 3,3'-di-O-gallate?
Yes, KEHONG BIO provides custom synthesis services for Procyanidin B-5 3,3'-di-O-gallate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.