Isoacteoside
TL;DR: Isoacteoside (CAS 61303-13-7) is a chemical compound with molecular formula C29H36O15 and molecular weight 624.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
Also Known As: Isoacteoside
| Molecular Formula | C29H36O15 |
|---|---|
| Molecular Weight | 624.21 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 245.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 11 |
| Exact Mass | 624.20544 |
| Heavy Atoms | 44 |
| Complexity | 936.0 |
Chemical Identifiers
| CAS Number | 61303-13-7 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](O[C@H]([C@@H]2O)OCCC3=CC(=C(C=C3)O)O)COC(=O)C=CC4=CC(=C(C=C4)O)O)O)O)O)O |
| InChIKey | FNMHEHXNBNCPCI-REDVTNNYSA-N |
Product Overview
Isoacteoside (CAS 61303-13-7), with molecular formula C29H36O15 and molecular weight 624.21 g/mol. IUPAC: [(2R,3R,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate.
Chemical Property Profile of Isoacteoside
Property Insights of Isoacteoside
The XLogP value of -0.5 indicates that Isoacteoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 245.0 Ų indicates high polarity, suggesting Isoacteoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isoacteoside has 9 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isoacteoside?
The CAS number of Isoacteoside is 61303-13-7.
What is the molecular formula of Isoacteoside?
The molecular formula of Isoacteoside is C29H36O15.
What is the molecular weight of Isoacteoside?
The molecular weight of Isoacteoside is 624.21 g/mol.
Where can I buy Isoacteoside?
You can request a quote for Isoacteoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoacteoside?
Yes, KEHONG BIO provides custom synthesis services for Isoacteoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.