Isolariciresinol 9'-beta-D-glucopyranoside
TL;DR: Isolariciresinol 9'-beta-D-glucopyranoside (CAS 63358-12-3) is a chemical compound with molecular formula C26H34O11 and molecular weight 522.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4S,5S,6R)-2-[(1S,3R)-7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol
Also Known As: (+)-Isolariciresinol monoglucoside, Isolariciresinol 9'-beta-D-glucopyranoside, Isolariciresinol 9-O-beta-D-glucopyranoside, beta-D-Glucopyranoside, (1,2,3,4-tetrahydro-7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6-methoxy-2-naphthalenyl)methyl, (1S-(1alpha,2beta,3alpha))-
| Molecular Formula | C26H34O11 |
|---|---|
| Molecular Weight | 522.21 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 179.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 522.2101 |
| Heavy Atoms | 37 |
| Complexity | 741.0 |
Chemical Identifiers
| CAS Number | 63358-12-3 |
|---|---|
| SMILES | COC1=C(C=C2[C@@H](C([C@@H](CC2=C1)CO)[C@@]3([C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)OC)C4=CC(=C(C=C4)O)OC)O |
| InChIKey | VRDFUQQTQIRXIH-NTECBOFFSA-N |
Product Overview
Isolariciresinol 9'-beta-D-glucopyranoside (CAS 63358-12-3), with molecular formula C26H34O11 and molecular weight 522.21 g/mol. IUPAC: (2R,3R,4S,5S,6R)-2-[(1S,3R)-7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol.
Chemical Property Profile of Isolariciresinol 9'-beta-D-glucopyranoside
Property Insights of Isolariciresinol 9'-beta-D-glucopyranoside
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isolariciresinol 9'-beta-D-glucopyranoside. The TPSA of 179.0 Ų indicates high polarity, suggesting Isolariciresinol 9'-beta-D-glucopyranoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isolariciresinol 9'-beta-D-glucopyranoside has 7 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isolariciresinol 9'-beta-D-glucopyranoside?
The CAS number of Isolariciresinol 9'-beta-D-glucopyranoside is 63358-12-3.
What is the molecular formula of Isolariciresinol 9'-beta-D-glucopyranoside?
The molecular formula of Isolariciresinol 9'-beta-D-glucopyranoside is C26H34O11.
What is the molecular weight of Isolariciresinol 9'-beta-D-glucopyranoside?
The molecular weight of Isolariciresinol 9'-beta-D-glucopyranoside is 522.21 g/mol.
Where can I buy Isolariciresinol 9'-beta-D-glucopyranoside?
You can request a quote for Isolariciresinol 9'-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 Isolariciresinol 9'-beta-D-glucopyranoside?
Yes, KEHONG BIO provides custom synthesis services for Isolariciresinol 9'-beta-D-glucopyranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.