Cyanidin 3-sambubioside
TL;DR: Cyanidin 3-sambubioside (CAS 33012-73-6) is a chemical compound with molecular formula C26H29ClO15 and molecular weight 616.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4S,5R)-2-[(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol chloride
Also Known As: Cyanidin 3-sambubioside, Sambicyanin, Cyanidin-3-O-sambubioside chloride, cyanidin-3-O-sambubioside, Cyanidine 3-sambubioside
| Molecular Formula | C26H29ClO15 |
|---|---|
| Molecular Weight | 616.12 g/mol |
| LogP | -4.1507 |
| Topological Polar Surface Area | 250.52 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 6 |
| Exact Mass | 616.1195 |
| Heavy Atoms | 42 |
| Complexity | 1405.8638 |
Chemical Identifiers
| CAS Number | 33012-73-6 |
|---|---|
| SMILES | C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC4=C(C=C(C=C4[O+]=C3C5=CC(=C(C=C5)O)O)O)O)CO)O)O)O)O)O.[Cl-] |
Product Overview
Cyanidin 3-sambubioside (CAS 33012-73-6), with molecular formula C26H29ClO15 and molecular weight 616.12 g/mol. IUPAC: (2S,3R,4S,5R)-2-[(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol chloride.
Chemical Property Profile of Cyanidin 3-sambubioside
Property Insights of Cyanidin 3-sambubioside
The XLogP value of -4.1507 indicates that Cyanidin 3-sambubioside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 250.52 Ų indicates high polarity, suggesting Cyanidin 3-sambubioside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cyanidin 3-sambubioside has 10 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cyanidin 3-sambubioside?
The CAS number of Cyanidin 3-sambubioside is 33012-73-6.
What is the molecular formula of Cyanidin 3-sambubioside?
The molecular formula of Cyanidin 3-sambubioside is C26H29ClO15.
What is the molecular weight of Cyanidin 3-sambubioside?
The molecular weight of Cyanidin 3-sambubioside is 616.12 g/mol.
Where can I buy Cyanidin 3-sambubioside?
You can request a quote for Cyanidin 3-sambubioside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyanidin 3-sambubioside?
Yes, KEHONG BIO provides custom synthesis services for Cyanidin 3-sambubioside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.