Malonylapiin
TL;DR: Malonylapiin (CAS 60478-75-3) is a chemical compound with molecular formula C29H30O17 and molecular weight 650.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(2R,3S,4S,5R,6S)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]-3-oxopropanoic acid
Also Known As: Malonylapiin, 6''-Malonylapiin, J2.433.390F, 7-O-[beta-D-apiosyl-(1->2)-(6-malonyl-beta-D-glucoside)], 2 -D-Apiofuranosyl-6 -O-malonylcosmosiin
| Molecular Formula | C29H30O17 |
|---|---|
| Molecular Weight | 650.15 g/mol |
| LogP | -1.4596 |
| Topological Polar Surface Area | 272.34 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 10 |
| Exact Mass | 650.1483 |
| Heavy Atoms | 46 |
| Complexity | 1637.1934 |
Chemical Identifiers
| CAS Number | 60478-75-3 |
|---|---|
| SMILES | C1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)COC(=O)CC(=O)O)O)O)O)(CO)O |
Product Overview
Malonylapiin (CAS 60478-75-3), with molecular formula C29H30O17 and molecular weight 650.15 g/mol. IUPAC: 3-[[(2R,3S,4S,5R,6S)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]-3-oxopropanoic acid.
Chemical Property Profile of Malonylapiin
Property Insights of Malonylapiin
The XLogP value of -1.4596 indicates that Malonylapiin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 272.34 Ų indicates high polarity, suggesting Malonylapiin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Malonylapiin has 8 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Malonylapiin?
The CAS number of Malonylapiin is 60478-75-3.
What is the molecular formula of Malonylapiin?
The molecular formula of Malonylapiin is C29H30O17.
What is the molecular weight of Malonylapiin?
The molecular weight of Malonylapiin is 650.15 g/mol.
Where can I buy Malonylapiin?
You can request a quote for Malonylapiin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Malonylapiin?
Yes, KEHONG BIO provides custom synthesis services for Malonylapiin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.