Isoorientin 6-O''-beta-D-glucopyranoside
TL;DR: Isoorientin 6-O''-beta-D-glucopyranoside (CAS 98568-80-0) is a chemical compound with molecular formula C27H30O16 and molecular weight 610.15 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-6-[(2S,3R,4R,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]chromen-4-one
Also Known As: Isoorientin 6'-O-Glucoside, Isoorientin 6-O''-beta-D-glucopyranoside, Isoorientin 6 -glucoside, 6 -O-beta-D-Glucopyranosylisoorientin, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,3R,4R,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]chromen-4-one
| Molecular Formula | C27H30O16 |
|---|---|
| Molecular Weight | 610.15 g/mol |
| LogP | -2.3 |
| Topological Polar Surface Area | 277.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 6 |
| Exact Mass | 610.1534 |
| Heavy Atoms | 43 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 98568-80-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)[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)O)O)O)O)O)O)O)O)O |
| InChIKey | WJLJMQTUQORVBM-KETMJRJWSA-N |
Product Overview
Isoorientin 6-O''-beta-D-glucopyranoside (CAS 98568-80-0), with molecular formula C27H30O16 and molecular weight 610.15 g/mol. IUPAC: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,3R,4R,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]chromen-4-one.
Chemical Property Profile of Isoorientin 6-O''-beta-D-glucopyranoside
Property Insights of Isoorientin 6-O''-beta-D-glucopyranoside
The XLogP value of -2.3 indicates that Isoorientin 6-O''-beta-D-glucopyranoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 277.0 Ų indicates high polarity, suggesting Isoorientin 6-O''-beta-D-glucopyranoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isoorientin 6-O''-beta-D-glucopyranoside has 11 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isoorientin 6-O''-beta-D-glucopyranoside?
The CAS number of Isoorientin 6-O''-beta-D-glucopyranoside is 98568-80-0.
What is the molecular formula of Isoorientin 6-O''-beta-D-glucopyranoside?
The molecular formula of Isoorientin 6-O''-beta-D-glucopyranoside is C27H30O16.
What is the molecular weight of Isoorientin 6-O''-beta-D-glucopyranoside?
The molecular weight of Isoorientin 6-O''-beta-D-glucopyranoside is 610.15 g/mol.
Where can I buy Isoorientin 6-O''-beta-D-glucopyranoside?
You can request a quote for Isoorientin 6-O''-beta-D-glucopyranoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoorientin 6-O''-beta-D-glucopyranoside?
Yes, KEHONG BIO provides custom synthesis services for Isoorientin 6-O''-beta-D-glucopyranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.