Limocitrin 3-O-beta-D-glucopyranoside
TL;DR: Limocitrin 3-O-beta-D-glucopyranoside (CAS 38836-51-0) is a chemical compound with molecular formula C23H24O13 and molecular weight 508.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Also Known As: 3-O-Glucosyllimocitrin, Limocitrin 3-, A-D-glucose, Limocitrin 3-glucoside, Limocitrin 3-O-beta-D-glucopyranoside
| Molecular Formula | C23H24O13 |
|---|---|
| Molecular Weight | 508.12 g/mol |
| LogP | -0.2273 |
| Topological Polar Surface Area | 208.74 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 508.1217 |
| Heavy Atoms | 36 |
| Complexity | 1332.0581 |
Chemical Identifiers
| CAS Number | 38836-51-0 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O |
Product Overview
Limocitrin 3-O-beta-D-glucopyranoside (CAS 38836-51-0), with molecular formula C23H24O13 and molecular weight 508.12 g/mol. IUPAC: 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one.
Chemical Property Profile of Limocitrin 3-O-beta-D-glucopyranoside
Property Insights of Limocitrin 3-O-beta-D-glucopyranoside
The XLogP value of -0.2273 indicates that Limocitrin 3-O-beta-D-glucopyranoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 208.74 Ų indicates high polarity, suggesting Limocitrin 3-O-beta-D-glucopyranoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Limocitrin 3-O-beta-D-glucopyranoside has 7 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Limocitrin 3-O-beta-D-glucopyranoside?
The CAS number of Limocitrin 3-O-beta-D-glucopyranoside is 38836-51-0.
What is the molecular formula of Limocitrin 3-O-beta-D-glucopyranoside?
The molecular formula of Limocitrin 3-O-beta-D-glucopyranoside is C23H24O13.
What is the molecular weight of Limocitrin 3-O-beta-D-glucopyranoside?
The molecular weight of Limocitrin 3-O-beta-D-glucopyranoside is 508.12 g/mol.
Where can I buy Limocitrin 3-O-beta-D-glucopyranoside?
You can request a quote for Limocitrin 3-O-beta-D-glucopyranoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Limocitrin 3-O-beta-D-glucopyranoside?
Yes, KEHONG BIO provides custom synthesis services for Limocitrin 3-O-beta-D-glucopyranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.