Seranin
TL;DR: Seranin (CAS 64963-53-7) 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.
(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-7-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol chloride
Also Known As: Seranin, (2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-7-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol chloride, (2S,4S,5S)-2-(2-(3,4-dihydroxyphenyl)-5-hydroxy-3-((2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxychromenylium-7-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol, (2S,4S,5S)-2-[2-(3,4-dihydroxyphenyl)-5-hydroxy-3-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-7-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol, 2-(3,4-Dihydroxyphenyl)-3-(beta-D-glucopyranosyloxy)-5-hydroxy-1-benzopyran-1-ium-7-yl beta-D-glucopyranoside chloride
| Molecular Formula | C27H31ClO16 |
|---|---|
| Molecular Weight | 646.13 g/mol |
| LogP | -5.1409 |
| Topological Polar Surface Area | 260.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 7 |
| Exact Mass | 646.13007 |
| Heavy Atoms | 44 |
| Complexity | 899.0 |
Chemical Identifiers
| CAS Number | 64963-53-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O.[Cl-] |
| InChIKey | WIUJUFBDNOIABW-DHJOXOLYSA-N |
Product Overview
Seranin (CAS 64963-53-7), with molecular formula C27H31ClO16 and molecular weight 646.13 g/mol. IUPAC: (2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-7-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol chloride.
Chemical Property Profile of Seranin
Property Insights of Seranin
The XLogP value of -5.1409 indicates that Seranin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 260.0 Ų indicates high polarity, suggesting Seranin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Seranin 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 Seranin?
The CAS number of Seranin is 64963-53-7.
What is the molecular formula of Seranin?
The molecular formula of Seranin is C27H31ClO16.
What is the molecular weight of Seranin?
The molecular weight of Seranin is 646.13 g/mol.
Where can I buy Seranin?
You can request a quote for Seranin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Seranin?
Yes, KEHONG BIO provides custom synthesis services for Seranin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.