Moracetin
TL;DR: Moracetin (CAS 61474-16-6) is a chemical compound with molecular formula C33H40O22 and molecular weight 788.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
Also Known As: Moracetin, quercetin-3-gentiotrioside, Quercetin 3-triglucoside, Quercetin 3-gentiotrioside, quercetin 3-beta-gentiotrioside
| Molecular Formula | C33H40O22 |
|---|---|
| Molecular Weight | 788.20 g/mol |
| LogP | -4.8905 |
| Topological Polar Surface Area | 368.81 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 10 |
| Exact Mass | 788.2011 |
| Heavy Atoms | 55 |
| Complexity | 1869.0626 |
Chemical Identifiers
| CAS Number | 61474-16-6 |
|---|---|
| SMILES | C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O)O)O)O)O)O |
Product Overview
Moracetin (CAS 61474-16-6), with molecular formula C33H40O22 and molecular weight 788.20 g/mol. IUPAC: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one.
Chemical Property Profile of Moracetin
Property Insights of Moracetin
The XLogP value of -4.8905 indicates that Moracetin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 368.81 Ų indicates high polarity, suggesting Moracetin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Moracetin has 14 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Moracetin?
The CAS number of Moracetin is 61474-16-6.
What is the molecular formula of Moracetin?
The molecular formula of Moracetin is C33H40O22.
What is the molecular weight of Moracetin?
The molecular weight of Moracetin is 788.20 g/mol.
Where can I buy Moracetin?
You can request a quote for Moracetin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Moracetin?
Yes, KEHONG BIO provides custom synthesis services for Moracetin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.