Kaempferol 3-sophorotrioside
TL;DR: Kaempferol 3-sophorotrioside (CAS 80714-53-0) is a chemical compound with molecular formula C33H40O21 and molecular weight 772.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Also Known As: Kaempferol 3-sophorotrioside, Kaempherol 3-sophorotrioside, Kaempferol 3-O-sophorotrioside, Kaempferol 3-O-beta-D-glucosyl-(1->2)-beta-D-glucosyl-(1->2)-beta-D-glucoside, 3-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
| Molecular Formula | C33H40O21 |
|---|---|
| Molecular Weight | 772.21 g/mol |
| LogP | -4.5961 |
| Topological Polar Surface Area | 348.58 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 10 |
| Exact Mass | 772.20624 |
| Heavy Atoms | 54 |
| Complexity | 1801.3114 |
Chemical Identifiers
| CAS Number | 80714-53-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O |
Product Overview
Kaempferol 3-sophorotrioside (CAS 80714-53-0), with molecular formula C33H40O21 and molecular weight 772.21 g/mol. IUPAC: 3-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one.
Chemical Property Profile of Kaempferol 3-sophorotrioside
Property Insights of Kaempferol 3-sophorotrioside
The XLogP value of -4.5961 indicates that Kaempferol 3-sophorotrioside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 348.58 Ų indicates high polarity, suggesting Kaempferol 3-sophorotrioside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Kaempferol 3-sophorotrioside has 13 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Kaempferol 3-sophorotrioside?
The CAS number of Kaempferol 3-sophorotrioside is 80714-53-0.
What is the molecular formula of Kaempferol 3-sophorotrioside?
The molecular formula of Kaempferol 3-sophorotrioside is C33H40O21.
What is the molecular weight of Kaempferol 3-sophorotrioside?
The molecular weight of Kaempferol 3-sophorotrioside is 772.21 g/mol.
Where can I buy Kaempferol 3-sophorotrioside?
You can request a quote for Kaempferol 3-sophorotrioside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Kaempferol 3-sophorotrioside?
Yes, KEHONG BIO provides custom synthesis services for Kaempferol 3-sophorotrioside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.