3-O-methylellagic acid 3'-O-alpha-rhamnopyranoside
TL;DR: 3-O-methylellagic acid 3'-O-alpha-rhamnopyranoside (CAS 352280-34-3) is a chemical compound with molecular formula C21H18O12 and molecular weight 462.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,13-dihydroxy-7-methoxy-14-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione
Also Known As: 3-O-methylellagic acid 3'-O-alpha-rhamnopyranoside, 3-O-Methylellagic acid 3 -rhamnoside, J1.589.207B, 3-O-Methyl-3 -O-(alpha-L-rhamnopyranosyl)ellagic acid, 2,7-Dihydroxy-3-methoxy-8-(alpha-L-rhamnopyranosyloxy)-4,9-dioxapyrene-5,10-dione
| Molecular Formula | C21H18O12 |
|---|---|
| Molecular Weight | 462.08 g/mol |
| LogP | 0.1165 |
| Topological Polar Surface Area | 189.26 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 3 |
| Exact Mass | 462.07983 |
| Heavy Atoms | 33 |
| Complexity | 1501.5126 |
Chemical Identifiers
| CAS Number | 352280-34-3 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(C=C3C4=C2OC(=O)C5=CC(=C(C(=C54)OC3=O)OC)O)O)O)O)O |
Product Overview
3-O-methylellagic acid 3'-O-alpha-rhamnopyranoside (CAS 352280-34-3), with molecular formula C21H18O12 and molecular weight 462.08 g/mol. IUPAC: 6,13-dihydroxy-7-methoxy-14-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione.
Chemical Property Profile of 3-O-methylellagic acid 3'-O-alpha-rhamnopyranoside
Property Insights of 3-O-methylellagic acid 3'-O-alpha-rhamnopyranoside
The XLogP value of 0.1165 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-O-methylellagic acid 3'-O-alpha-rhamnopyranoside. The TPSA of 189.26 Ų indicates high polarity, suggesting 3-O-methylellagic acid 3'-O-alpha-rhamnopyranoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-O-methylellagic acid 3'-O-alpha-rhamnopyranoside has 5 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-O-methylellagic acid 3'-O-alpha-rhamnopyranoside?
The CAS number of 3-O-methylellagic acid 3'-O-alpha-rhamnopyranoside is 352280-34-3.
What is the molecular formula of 3-O-methylellagic acid 3'-O-alpha-rhamnopyranoside?
The molecular formula of 3-O-methylellagic acid 3'-O-alpha-rhamnopyranoside is C21H18O12.
What is the molecular weight of 3-O-methylellagic acid 3'-O-alpha-rhamnopyranoside?
The molecular weight of 3-O-methylellagic acid 3'-O-alpha-rhamnopyranoside is 462.08 g/mol.
Where can I buy 3-O-methylellagic acid 3'-O-alpha-rhamnopyranoside?
You can request a quote for 3-O-methylellagic acid 3'-O-alpha-rhamnopyranoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-O-methylellagic acid 3'-O-alpha-rhamnopyranoside?
Yes, KEHONG BIO provides custom synthesis services for 3-O-methylellagic acid 3'-O-alpha-rhamnopyranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.