Delphinidin 3-glucosylglucoside
TL;DR: Delphinidin 3-glucosylglucoside (CAS 58213-36-8) is a chemical compound with molecular formula C27H31O17+ and molecular weight 627.16 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,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: Delphinidin 3-diglucoside, Delphinidin 3-glucosylglucoside, Delphinidin-3-diglucoside, 3-O-[Glucosyl-(1->?)-glucoside], Delphinidin 3-O-glucosyl-glucoside
| Molecular Formula | C27H31O17+ |
|---|---|
| Molecular Weight | 627.16 g/mol |
| LogP | -2.0882 |
| Topological Polar Surface Area | 290.98 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 7 |
| Exact Mass | 627.1561 |
| Heavy Atoms | 44 |
| Complexity | 1473.9713 |
Chemical Identifiers
| CAS Number | 58213-36-8 |
|---|---|
| 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[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)O |
Product Overview
Delphinidin 3-glucosylglucoside (CAS 58213-36-8), with molecular formula C27H31O17+ and molecular weight 627.16 g/mol. IUPAC: (2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of Delphinidin 3-glucosylglucoside
Property Insights of Delphinidin 3-glucosylglucoside
The XLogP value of -2.0882 indicates that Delphinidin 3-glucosylglucoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 290.98 Ų indicates high polarity, suggesting Delphinidin 3-glucosylglucoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Delphinidin 3-glucosylglucoside has 12 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 Delphinidin 3-glucosylglucoside?
The CAS number of Delphinidin 3-glucosylglucoside is 58213-36-8.
What is the molecular formula of Delphinidin 3-glucosylglucoside?
The molecular formula of Delphinidin 3-glucosylglucoside is C27H31O17+.
What is the molecular weight of Delphinidin 3-glucosylglucoside?
The molecular weight of Delphinidin 3-glucosylglucoside is 627.16 g/mol.
Where can I buy Delphinidin 3-glucosylglucoside?
You can request a quote for Delphinidin 3-glucosylglucoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Delphinidin 3-glucosylglucoside?
Yes, KEHONG BIO provides custom synthesis services for Delphinidin 3-glucosylglucoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.