1-Benzopyrylium, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-(beta-D-xylopyranosyloxy)-, chloride
TL;DR: 1-Benzopyrylium, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-(beta-D-xylopyranosyloxy)-, chloride (CAS 77974-80-2) is a chemical compound with molecular formula C20H19ClO9 and molecular weight 438.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4S,5R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium-3-yl]oxyoxane-3,4,5-triol chloride
Also Known As: 1-Benzopyrylium, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-(beta-D-xylopyranosyloxy)-, chloride, (2S,3R,4S,5R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium-3-yl]oxyoxane-3,4,5-triol chloride
| Molecular Formula | C20H19ClO9 |
|---|---|
| Molecular Weight | 438.07 g/mol |
| LogP | -1.6805 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 438.07175 |
| Heavy Atoms | 30 |
| Complexity | 540.0 |
Chemical Identifiers
| CAS Number | 77974-80-2 |
|---|---|
| SMILES | C1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC3=C(C=C(C=C3[O+]=C2C4=CC=C(C=C4)O)O)O)O)O)O.[Cl-] |
| InChIKey | OCGGMAFTSRCSJO-XKGOWWBVSA-N |
Product Overview
1-Benzopyrylium, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-(beta-D-xylopyranosyloxy)-, chloride (CAS 77974-80-2), with molecular formula C20H19ClO9 and molecular weight 438.07 g/mol. IUPAC: (2S,3R,4S,5R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium-3-yl]oxyoxane-3,4,5-triol chloride.
Chemical Property Profile of 1-Benzopyrylium, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-(beta-D-xylopyranosyloxy)-, chloride
Property Insights of 1-Benzopyrylium, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-(beta-D-xylopyranosyloxy)-, chloride
The XLogP value of -1.6805 indicates that 1-Benzopyrylium, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-(beta-D-xylopyranosyloxy)-, chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 141.0 Ų indicates high polarity, suggesting 1-Benzopyrylium, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-(beta-D-xylopyranosyloxy)-, chloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-Benzopyrylium, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-(beta-D-xylopyranosyloxy)-, chloride has 6 hydrogen bond donor(s) and 9 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, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-(beta-D-xylopyranosyloxy)-, chloride?
The CAS number of 1-Benzopyrylium, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-(beta-D-xylopyranosyloxy)-, chloride is 77974-80-2.
What is the molecular formula of 1-Benzopyrylium, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-(beta-D-xylopyranosyloxy)-, chloride?
The molecular formula of 1-Benzopyrylium, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-(beta-D-xylopyranosyloxy)-, chloride is C20H19ClO9.
What is the molecular weight of 1-Benzopyrylium, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-(beta-D-xylopyranosyloxy)-, chloride?
The molecular weight of 1-Benzopyrylium, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-(beta-D-xylopyranosyloxy)-, chloride is 438.07 g/mol.
Where can I buy 1-Benzopyrylium, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-(beta-D-xylopyranosyloxy)-, chloride?
You can request a quote for 1-Benzopyrylium, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-(beta-D-xylopyranosyloxy)-, 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, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-(beta-D-xylopyranosyloxy)-, chloride?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzopyrylium, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-(beta-D-xylopyranosyloxy)-, chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.