1,6-di-O-galloyl-2-O-cinnamoyl-beta-D-glucose
TL;DR: 1,6-di-O-galloyl-2-O-cinnamoyl-beta-D-glucose (CAS 94356-17-9) is a chemical compound with molecular formula C29H26O15 and molecular weight 614.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4S,5R,6S)-3,4-dihydroxy-5-[(E)-3-phenylprop-2-enoyl]oxy-6-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Also Known As: 1,6-Digalloyl-2-cinnamoyl-glucose, J1.471.931H, 1,6-di-O-galloyl-2-O-cinnamoyl-beta-D-glucose, 1,6-di-O-galloyl-2-O-cinnamoyl-beta-D-glucoside, 1-O,6-O-Digalloyl-2-O-cinnamoyl-beta-D-glucopyranose
| Molecular Formula | C29H26O15 |
|---|---|
| Molecular Weight | 614.13 g/mol |
| LogP | 1.0059 |
| Topological Polar Surface Area | 249.97 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 8 |
| Exact Mass | 614.1272 |
| Heavy Atoms | 44 |
| Complexity | 1522.1783 |
Chemical Identifiers
| CAS Number | 94356-17-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/C(=O)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC(=O)C3=CC(=C(C(=C3)O)O)O)COC(=O)C4=CC(=C(C(=C4)O)O)O)O)O |
Product Overview
1,6-di-O-galloyl-2-O-cinnamoyl-beta-D-glucose (CAS 94356-17-9), with molecular formula C29H26O15 and molecular weight 614.13 g/mol. IUPAC: [(2R,3S,4S,5R,6S)-3,4-dihydroxy-5-[(E)-3-phenylprop-2-enoyl]oxy-6-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate.
Chemical Property Profile of 1,6-di-O-galloyl-2-O-cinnamoyl-beta-D-glucose
Property Insights of 1,6-di-O-galloyl-2-O-cinnamoyl-beta-D-glucose
The XLogP value of 1.0059 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,6-di-O-galloyl-2-O-cinnamoyl-beta-D-glucose. The TPSA of 249.97 Ų indicates high polarity, suggesting 1,6-di-O-galloyl-2-O-cinnamoyl-beta-D-glucose may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,6-di-O-galloyl-2-O-cinnamoyl-beta-D-glucose has 8 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,6-di-O-galloyl-2-O-cinnamoyl-beta-D-glucose?
The CAS number of 1,6-di-O-galloyl-2-O-cinnamoyl-beta-D-glucose is 94356-17-9.
What is the molecular formula of 1,6-di-O-galloyl-2-O-cinnamoyl-beta-D-glucose?
The molecular formula of 1,6-di-O-galloyl-2-O-cinnamoyl-beta-D-glucose is C29H26O15.
What is the molecular weight of 1,6-di-O-galloyl-2-O-cinnamoyl-beta-D-glucose?
The molecular weight of 1,6-di-O-galloyl-2-O-cinnamoyl-beta-D-glucose is 614.13 g/mol.
Where can I buy 1,6-di-O-galloyl-2-O-cinnamoyl-beta-D-glucose?
You can request a quote for 1,6-di-O-galloyl-2-O-cinnamoyl-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 1,6-di-O-galloyl-2-O-cinnamoyl-beta-D-glucose?
Yes, KEHONG BIO provides custom synthesis services for 1,6-di-O-galloyl-2-O-cinnamoyl-beta-D-glucose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.