Delphanin
TL;DR: Delphanin (CAS 28463-30-1) is a chemical compound with molecular formula C42H47ClO23 and molecular weight 954.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3R,4S,5R,6S)-4,5-dihydroxy-2-methyl-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxyoxan-2-yl]methoxy]oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate chloride
Also Known As: Delphanin, Nasunin, Violanin, Delphinidin-3-(p-coumaroylrutinoside)-5-glucoside, delphinidine-3-(p-coumaroylrutinoside)-5-glucoside
| Molecular Formula | C42H47ClO23 |
|---|---|
| Molecular Weight | 954.22 g/mol |
| LogP | -4.6136 |
| Topological Polar Surface Area | 376.2 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 12 |
| Exact Mass | 954.21967 |
| Heavy Atoms | 66 |
| Complexity | 2324.433 |
Chemical Identifiers
| CAS Number | 28463-30-1 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C([O+]=C4C=C(C=C(C4=C3)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)C6=CC(=C(C(=C6)O)O)O)O)O)O)O)O)OC(=O)/C=C/C7=CC=C(C=C7)O.[Cl-] |
Product Overview
Delphanin (CAS 28463-30-1), with molecular formula C42H47ClO23 and molecular weight 954.22 g/mol. IUPAC: [(2S,3R,4S,5R,6S)-4,5-dihydroxy-2-methyl-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxyoxan-2-yl]methoxy]oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate chloride.
Chemical Property Profile of Delphanin
Property Insights of Delphanin
The XLogP value of -4.6136 indicates that Delphanin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 376.2 Ų indicates high polarity, suggesting Delphanin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Delphanin has 14 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Delphanin?
The CAS number of Delphanin is 28463-30-1.
What is the molecular formula of Delphanin?
The molecular formula of Delphanin is C42H47ClO23.
What is the molecular weight of Delphanin?
The molecular weight of Delphanin is 954.22 g/mol.
Where can I buy Delphanin?
You can request a quote for Delphanin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Delphanin?
Yes, KEHONG BIO provides custom synthesis services for Delphanin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.