Delphinidin 3-galactoside
TL;DR: Delphinidin 3-galactoside (CAS 68852-84-6) is a chemical compound with molecular formula C21H21ClO12 and molecular weight 500.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4S,5R,6R)-2-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol chloride
Also Known As: Delphinidin 3-galactoside, Empetrin, Mirtillin, Delphinidin galactoside, delphinidin-3-O-galactoside
| Molecular Formula | C21H21ClO12 |
|---|---|
| Molecular Weight | 500.07 g/mol |
| LogP | -2.9084 |
| Topological Polar Surface Area | 202.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 4 |
| Exact Mass | 500.07214 |
| Heavy Atoms | 34 |
| Complexity | 641.0 |
Chemical Identifiers
| CAS Number | 68852-84-6 |
|---|---|
| SMILES | C1=C(C=C(C(=C1O)O)O)C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O.[Cl-] |
| InChIKey | ZJWIIMLSNZOCBP-KGDMUXNNSA-N |
Product Overview
Delphinidin 3-galactoside (CAS 68852-84-6), with molecular formula C21H21ClO12 and molecular weight 500.07 g/mol. IUPAC: (2S,3R,4S,5R,6R)-2-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol chloride.
Chemical Property Profile of Delphinidin 3-galactoside
Property Insights of Delphinidin 3-galactoside
The XLogP value of -2.9084 indicates that Delphinidin 3-galactoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 202.0 Ų indicates high polarity, suggesting Delphinidin 3-galactoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Delphinidin 3-galactoside has 9 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Delphinidin 3-galactoside?
The CAS number of Delphinidin 3-galactoside is 68852-84-6.
What is the molecular formula of Delphinidin 3-galactoside?
The molecular formula of Delphinidin 3-galactoside is C21H21ClO12.
What is the molecular weight of Delphinidin 3-galactoside?
The molecular weight of Delphinidin 3-galactoside is 500.07 g/mol.
Where can I buy Delphinidin 3-galactoside?
You can request a quote for Delphinidin 3-galactoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Delphinidin 3-galactoside?
Yes, KEHONG BIO provides custom synthesis services for Delphinidin 3-galactoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.