1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3,5-bis(beta-D-galactopyranosyloxy)-7-hydroxy-, chloride
TL;DR: 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3,5-bis(beta-D-galactopyranosyloxy)-7-hydroxy-, chloride (CAS 83327-53-1) 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,5R,6R)-2-[2-(3,4-dihydroxyphenyl)-7-hydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol chloride
Also Known As: 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3,5-bis(beta-D-galactopyranosyloxy)-7-hydroxy-, chloride, (2S,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)-7-hydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol 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 | 83327-53-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1C2=C(C=C3C(=CC(=CC3=[O+]2)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)O)O.[Cl-] |
| InChIKey | QDVZZZBBPRFPDG-WVTWYPAHSA-N |
Product Overview
1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3,5-bis(beta-D-galactopyranosyloxy)-7-hydroxy-, chloride (CAS 83327-53-1), with molecular formula C27H31ClO16 and molecular weight 646.13 g/mol. IUPAC: (2S,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)-7-hydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol chloride.
Chemical Property Profile of 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3,5-bis(beta-D-galactopyranosyloxy)-7-hydroxy-, chloride
Property Insights of 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3,5-bis(beta-D-galactopyranosyloxy)-7-hydroxy-, chloride
The XLogP value of -5.1409 indicates that 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3,5-bis(beta-D-galactopyranosyloxy)-7-hydroxy-, chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 260.0 Ų indicates high polarity, suggesting 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3,5-bis(beta-D-galactopyranosyloxy)-7-hydroxy-, chloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3,5-bis(beta-D-galactopyranosyloxy)-7-hydroxy-, chloride 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 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3,5-bis(beta-D-galactopyranosyloxy)-7-hydroxy-, chloride?
The CAS number of 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3,5-bis(beta-D-galactopyranosyloxy)-7-hydroxy-, chloride is 83327-53-1.
What is the molecular formula of 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3,5-bis(beta-D-galactopyranosyloxy)-7-hydroxy-, chloride?
The molecular formula of 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3,5-bis(beta-D-galactopyranosyloxy)-7-hydroxy-, chloride is C27H31ClO16.
What is the molecular weight of 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3,5-bis(beta-D-galactopyranosyloxy)-7-hydroxy-, chloride?
The molecular weight of 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3,5-bis(beta-D-galactopyranosyloxy)-7-hydroxy-, chloride is 646.13 g/mol.
Where can I buy 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3,5-bis(beta-D-galactopyranosyloxy)-7-hydroxy-, chloride?
You can request a quote for 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3,5-bis(beta-D-galactopyranosyloxy)-7-hydroxy-, chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3,5-bis(beta-D-galactopyranosyloxy)-7-hydroxy-, chloride?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3,5-bis(beta-D-galactopyranosyloxy)-7-hydroxy-, chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.