Delphinidin 3-rutinoside
TL;DR: Delphinidin 3-rutinoside (CAS 15674-58-5) is a chemical compound with molecular formula C27H31ClO16 and molecular weight 646.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4R,5R,6S)-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-methyloxane-3,4,5-triol chloride
Also Known As: Tulipanin, delphinidin 3-rutinoside, Delphinidin-3-rutinoside, Ribose-5-phosphate Barium Salt, Delphinidin 3-rutinoside (chloride)
| Molecular Formula | C27H31ClO16 |
|---|---|
| Molecular Weight | 646.13 g/mol |
| LogP | -4.0566 |
| Topological Polar Surface Area | 260.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 6 |
| Exact Mass | 646.13007 |
| Heavy Atoms | 44 |
| Complexity | 902.0 |
Chemical Identifiers
| CAS Number | 15674-58-5 |
|---|---|
| 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=CC4=C(C=C(C=C4[O+]=C3C5=CC(=C(C(=C5)O)O)O)O)O)O)O)O)O)O)O.[Cl-] |
| InChIKey | ZOQQFMKYEOHRMC-KFOCXKDFSA-N |
Product Overview
Delphinidin 3-rutinoside (CAS 15674-58-5), with molecular formula C27H31ClO16 and molecular weight 646.13 g/mol. IUPAC: (2R,3R,4R,5R,6S)-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-methyloxane-3,4,5-triol chloride.
Chemical Property Profile of Delphinidin 3-rutinoside
Property Insights of Delphinidin 3-rutinoside
The XLogP value of -4.0566 indicates that Delphinidin 3-rutinoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 260.0 Ų indicates high polarity, suggesting Delphinidin 3-rutinoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Delphinidin 3-rutinoside has 11 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-rutinoside?
The CAS number of Delphinidin 3-rutinoside is 15674-58-5.
What is the molecular formula of Delphinidin 3-rutinoside?
The molecular formula of Delphinidin 3-rutinoside is C27H31ClO16.
What is the molecular weight of Delphinidin 3-rutinoside?
The molecular weight of Delphinidin 3-rutinoside is 646.13 g/mol.
Where can I buy Delphinidin 3-rutinoside?
You can request a quote for Delphinidin 3-rutinoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Delphinidin 3-rutinoside?
Yes, KEHONG BIO provides custom synthesis services for Delphinidin 3-rutinoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.