Malonylawobanin
TL;DR: Malonylawobanin (CAS 88399-23-9) is a chemical compound with molecular formula C39H39O22+ and molecular weight 859.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[7-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromenylium-5-yl]oxyoxan-2-yl]methoxy]propanoic acid
Also Known As: Malonylawobanin, 3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[7-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromenylium-5-yl]oxyoxan-2-yl]methoxy]propanoic acid, delphinidin 3-O-(6-O-p-coumaroylglucoside)-5-O-(6-O-malonylglucoside), 1-BENZOPYRYLIUM,5-[[6-O-(CARBOXYACETYL)-B-D-GLUCOPYRANOSYL]OXY]-7-HYDROXY-3-[[6-O-[(2E)-3-(4-HYDROXYPHENYL)-1-OXO-2-PROPENYL]-B-D-GLUCOPYRANOSYL]OXY]-2-(3,4,5-TRIHYDROXYPHENYL)-,CHLORIDE (9CI), 1-Benzopyrylium,5-[[6-O-(carboxyacetyl)-b-D-glucopyranosyl]oxy]-7-hydroxy-3-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-b-D-glucopyranosyl]oxy]-2-(3,4,5-trihydroxyphenyl)-,chloride(9ci)
| Molecular Formula | C39H39O22+ |
|---|---|
| Molecular Weight | 859.19 g/mol |
| LogP | -0.4438 |
| Topological Polar Surface Area | 360.65 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 13 |
| Exact Mass | 859.1933 |
| Heavy Atoms | 61 |
| Complexity | 2254.9377 |
Chemical Identifiers
| CAS Number | 88399-23-9 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C([O+]=C4C=C(C=C(C4=C3)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)CC(=O)O)O)O)O)O)C6=CC(=C(C(=C6)O)O)O)O)O)O)O |
Product Overview
Malonylawobanin (CAS 88399-23-9), with molecular formula C39H39O22+ and molecular weight 859.19 g/mol. IUPAC: 3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[7-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromenylium-5-yl]oxyoxan-2-yl]methoxy]propanoic acid.
Chemical Property Profile of Malonylawobanin
Property Insights of Malonylawobanin
The XLogP value of -0.4438 indicates that Malonylawobanin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 360.65 Ų indicates high polarity, suggesting Malonylawobanin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Malonylawobanin has 12 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Malonylawobanin?
The CAS number of Malonylawobanin is 88399-23-9.
What is the molecular formula of Malonylawobanin?
The molecular formula of Malonylawobanin is C39H39O22+.
What is the molecular weight of Malonylawobanin?
The molecular weight of Malonylawobanin is 859.19 g/mol.
Where can I buy Malonylawobanin?
You can request a quote for Malonylawobanin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Malonylawobanin?
Yes, KEHONG BIO provides custom synthesis services for Malonylawobanin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.