alpha-Glucosylrutin
TL;DR: alpha-Glucosylrutin (CAS 130603-71-3) is a chemical compound with molecular formula C33H40O21 and molecular weight 772.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dihydroxyphenyl)-3-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5,7-dihydroxychromen-4-one
Also Known As: Glu-rutin, alphaG-rutin, alpha-glucosylrutin, alpha G-Rutin, a-Glucosylrutin
| Molecular Formula | C33H40O21 |
|---|---|
| Molecular Weight | 772.21 g/mol |
| LogP | -3.8629 |
| Topological Polar Surface Area | 348.58 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 9 |
| Exact Mass | 772.20624 |
| Heavy Atoms | 54 |
| Complexity | 1850.7274 |
Chemical Identifiers
| CAS Number | 130603-71-3 |
|---|---|
| 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)O)O)O)O)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O |
Product Overview
alpha-Glucosylrutin (CAS 130603-71-3), with molecular formula C33H40O21 and molecular weight 772.21 g/mol. IUPAC: 2-(3,4-dihydroxyphenyl)-3-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5,7-dihydroxychromen-4-one.
Chemical Property Profile of alpha-Glucosylrutin
Property Insights of alpha-Glucosylrutin
The XLogP value of -3.8629 indicates that alpha-Glucosylrutin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 348.58 Ų indicates high polarity, suggesting alpha-Glucosylrutin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, alpha-Glucosylrutin has 13 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of alpha-Glucosylrutin?
The CAS number of alpha-Glucosylrutin is 130603-71-3.
What is the molecular formula of alpha-Glucosylrutin?
The molecular formula of alpha-Glucosylrutin is C33H40O21.
What is the molecular weight of alpha-Glucosylrutin?
The molecular weight of alpha-Glucosylrutin is 772.21 g/mol.
Where can I buy alpha-Glucosylrutin?
You can request a quote for alpha-Glucosylrutin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Glucosylrutin?
Yes, KEHONG BIO provides custom synthesis services for alpha-Glucosylrutin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.