1,2,6-Trigalloylglucose
TL;DR: 1,2,6-Trigalloylglucose (CAS 79886-49-0) is a chemical compound with molecular formula C27H24O18 and molecular weight 636.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(5R)-4,5-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-4-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxolan-2-yl]methyl 3,4,5-trihydroxybenzoate
Also Known As: 1,2,6-Trigalloylglucose, 1,2,6-Tri-O-galloyl-beta-D-glucose, 1,2,6-Tri-O-galloyl-.beta.-D-glucose, 1,2,6-Tri-O-galloyl-.beta.-D-glucopyranose, .beta.-D-Glucopyranose, 1,2,6-tris(3,4,5-trihydroxybenzoate)
| Molecular Formula | C27H24O18 |
|---|---|
| Molecular Weight | 636.10 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 311.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 11 |
| Exact Mass | 636.09625 |
| Heavy Atoms | 45 |
| Complexity | 1020.0 |
Chemical Identifiers
| CAS Number | 79886-49-0 |
|---|---|
| SMILES | C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C([C@@H](O2)O)(COC(=O)C3=CC(=C(C(=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O |
| InChIKey | KCQFLGUEZXYOER-IPKUFKRGSA-N |
Product Overview
1,2,6-Trigalloylglucose (CAS 79886-49-0), with molecular formula C27H24O18 and molecular weight 636.10 g/mol. IUPAC: [(5R)-4,5-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-4-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxolan-2-yl]methyl 3,4,5-trihydroxybenzoate.
Chemical Property Profile of 1,2,6-Trigalloylglucose
Property Insights of 1,2,6-Trigalloylglucose
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,6-Trigalloylglucose. The TPSA of 311.0 Ų indicates high polarity, suggesting 1,2,6-Trigalloylglucose may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,2,6-Trigalloylglucose has 11 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,2,6-Trigalloylglucose?
The CAS number of 1,2,6-Trigalloylglucose is 79886-49-0.
What is the molecular formula of 1,2,6-Trigalloylglucose?
The molecular formula of 1,2,6-Trigalloylglucose is C27H24O18.
What is the molecular weight of 1,2,6-Trigalloylglucose?
The molecular weight of 1,2,6-Trigalloylglucose is 636.10 g/mol.
Where can I buy 1,2,6-Trigalloylglucose?
You can request a quote for 1,2,6-Trigalloylglucose directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,6-Trigalloylglucose?
Yes, KEHONG BIO provides custom synthesis services for 1,2,6-Trigalloylglucose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.