Secoisolariciresinol Diglucoside
TL;DR: Secoisolariciresinol Diglucoside (CAS 257930-74-8) is a chemical compound with molecular formula C32H46O16 and molecular weight 686.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4S,5S,6R)-2-[(2R,3R)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: Secoisolariciresinol diglucoside, Bmhb-diglc, Lignans, Seco-isolariciresinol diglucoside, (R,R)-Secoisolariciresinol diglucoside
| Molecular Formula | C32H46O16 |
|---|---|
| Molecular Weight | 686.28 g/mol |
| LogP | -2.2344 |
| Topological Polar Surface Area | 257.68 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 15 |
| Exact Mass | 686.27856 |
| Heavy Atoms | 48 |
| Complexity | 1195.2579 |
Chemical Identifiers
| CAS Number | 257930-74-8 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C[C@@H](CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)[C@@H](CC3=CC(=C(C=C3)O)OC)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O |
Product Overview
Secoisolariciresinol Diglucoside (CAS 257930-74-8), with molecular formula C32H46O16 and molecular weight 686.28 g/mol. IUPAC: (2R,3R,4S,5S,6R)-2-[(2R,3R)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of Secoisolariciresinol Diglucoside
Property Insights of Secoisolariciresinol Diglucoside
The XLogP value of -2.2344 indicates that Secoisolariciresinol Diglucoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 257.68 Ų indicates high polarity, suggesting Secoisolariciresinol Diglucoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Secoisolariciresinol Diglucoside has 10 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 Secoisolariciresinol Diglucoside?
The CAS number of Secoisolariciresinol Diglucoside is 257930-74-8.
What is the molecular formula of Secoisolariciresinol Diglucoside?
The molecular formula of Secoisolariciresinol Diglucoside is C32H46O16.
What is the molecular weight of Secoisolariciresinol Diglucoside?
The molecular weight of Secoisolariciresinol Diglucoside is 686.28 g/mol.
Where can I buy Secoisolariciresinol Diglucoside?
You can request a quote for Secoisolariciresinol Diglucoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Secoisolariciresinol Diglucoside?
Yes, KEHONG BIO provides custom synthesis services for Secoisolariciresinol Diglucoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.