1,2-Di-O-sinapoyl-beta-D-glucose
TL;DR: 1,2-Di-O-sinapoyl-beta-D-glucose (CAS 91095-79-3) is a chemical compound with molecular formula C28H32O14 and molecular weight 592.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
Also Known As: 1,2-di-O-sinapoyl-beta-D-glucose, 1,2-disinapoylglucose, 1,2-Bis-O-sinapoyl-beta-D-glucoside, 1,2-di-O-sinapoyl beta-D-glucose, sinapoyl 2-O-sinapoyl-beta-D-glucoside
| Molecular Formula | C28H32O14 |
|---|---|
| Molecular Weight | 592.18 g/mol |
| LogP | 0.7528 |
| Topological Polar Surface Area | 199.9 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 11 |
| Exact Mass | 592.1792 |
| Heavy Atoms | 42 |
| Complexity | 1269.6704 |
Chemical Identifiers
| CAS Number | 91095-79-3 |
|---|---|
| SMILES | COC1=CC(=CC(=C1O)OC)/C=C/C(=O)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC(=O)/C=C/C3=CC(=C(C(=C3)OC)O)OC)CO)O)O |
Product Overview
1,2-Di-O-sinapoyl-beta-D-glucose (CAS 91095-79-3), with molecular formula C28H32O14 and molecular weight 592.18 g/mol. IUPAC: [(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate.
Chemical Property Profile of 1,2-Di-O-sinapoyl-beta-D-glucose
Property Insights of 1,2-Di-O-sinapoyl-beta-D-glucose
The XLogP value of 0.7528 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Di-O-sinapoyl-beta-D-glucose. The TPSA of 199.9 Ų indicates high polarity, suggesting 1,2-Di-O-sinapoyl-beta-D-glucose may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,2-Di-O-sinapoyl-beta-D-glucose has 5 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,2-Di-O-sinapoyl-beta-D-glucose?
The CAS number of 1,2-Di-O-sinapoyl-beta-D-glucose is 91095-79-3.
What is the molecular formula of 1,2-Di-O-sinapoyl-beta-D-glucose?
The molecular formula of 1,2-Di-O-sinapoyl-beta-D-glucose is C28H32O14.
What is the molecular weight of 1,2-Di-O-sinapoyl-beta-D-glucose?
The molecular weight of 1,2-Di-O-sinapoyl-beta-D-glucose is 592.18 g/mol.
Where can I buy 1,2-Di-O-sinapoyl-beta-D-glucose?
You can request a quote for 1,2-Di-O-sinapoyl-beta-D-glucose directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Di-O-sinapoyl-beta-D-glucose?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Di-O-sinapoyl-beta-D-glucose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.