Isorhamnetin-3-O-rutinoside-4'-O-glucoside
TL;DR: Isorhamnetin-3-O-rutinoside-4'-O-glucoside (CAS 111393-97-6) is a chemical compound with molecular formula C34H42O21 and molecular weight 786.22186 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5,7-dihydroxy-2-[3-methoxy-4-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
Also Known As: Isorhamnetin-3-O-rutinoside-4'-O-glucoside, 5,7-Dihydroxy-2-(3-methoxy-4-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-phenyl)-3-(3,4,5-trihydroxy-6-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxymethyl)-tetrahydro-pyran-2-yloxy)-1-benzopyran-4-one, 4-(3-{[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy}-5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2-methoxyphenyl D-glucopyranoside, 4-(3-{[6-O-(6-Deoxyhexopyranosyl)hexopyranosyl]oxy}-5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2-methoxyphenyl hexopyranoside, 5,7-Dihydroxy-2-[3-methoxy-4-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-phenyl]-3-[3,4,5-trihydroxy-6-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxymethyl)-tetrahydro-pyran-2-yloxy]-1-benzopyran-4-one
Technical Specifications
| Molecular Formula | C34H42O21 |
| Molecular Weight | 786.22186 g/mol |
| XLogP | -2.8 |
| Topological Polar Surface Area (TPSA) | 334.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 10 |
| Exact Mass | 786.22186 Da |
| Heavy Atoms | 55 |
| Complexity | 1340.0 |
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)OC6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)OC)O)O)O)O)O)O |
| InChIKey | CIMIDTVULPXVNY-KPSGJBCCSA-N |
Product Description
Applications: AC1NUKZ3 is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies AC1NUKZ3 (CAS 111393-97-6) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A fine chemical supplied by CoreyChem, AC1NUKZ3 (CAS 111393-97-6) has the molecular formula C34H42O21 and a molecular weight of 786.22 g/mol. It is also known as Isorhamnetin-3-O-rutinoside-4'-O-glucoside and 5,7-Dihydroxy-2-(3-methoxy-4-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-phenyl)-3-(3,4,5-trihydroxy-6-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxymethyl)-tetrahydro-pyran-2-yloxy)-1-benzopyran-4-one.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Isorhamnetin-3-O-rutinoside-4'-O-glucoside
Property Insights of Isorhamnetin-3-O-rutinoside-4'-O-glucoside
The XLogP value of -2.8 indicates that Isorhamnetin-3-O-rutinoside-4'-O-glucoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 334.0 Ų indicates high polarity, suggesting Isorhamnetin-3-O-rutinoside-4'-O-glucoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isorhamnetin-3-O-rutinoside-4'-O-glucoside has 12 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Isorhamnetin-3-O-rutinoside-4'-O-glucoside?
The CAS number of Isorhamnetin-3-O-rutinoside-4'-O-glucoside is 111393-97-6.
What is the molecular formula of Isorhamnetin-3-O-rutinoside-4'-O-glucoside?
The molecular formula of Isorhamnetin-3-O-rutinoside-4'-O-glucoside is C34H42O21.
What is the molecular weight of Isorhamnetin-3-O-rutinoside-4'-O-glucoside?
The molecular weight of Isorhamnetin-3-O-rutinoside-4'-O-glucoside is 786.22186 g/mol.
What are the applications of Isorhamnetin-3-O-rutinoside-4'-O-glucoside?
AC1NUKZ3 is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies AC1NUKZ3 (CAS 111393-97-6) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Where can I buy Isorhamnetin-3-O-rutinoside-4'-O-glucoside?
You can request a quote for Isorhamnetin-3-O-rutinoside-4'-O-glucoside directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isorhamnetin-3-O-rutinoside-4'-O-glucoside?
Yes, CoreyChem provides custom synthesis services for Isorhamnetin-3-O-rutinoside-4'-O-glucoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.