Mono-O-acetylvallaroside
TL;DR: Mono-O-acetylvallaroside (CAS 4356-53-0) is a chemical compound with molecular formula C32H48O9 and molecular weight 576.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,4S,5S,6S)-5-hydroxy-2-[[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-methoxy-6-methyloxan-3-yl] acetate
Also Known As: Mono-O-acetylvallaroside, Vallaroside, mono-O-acetyl-, Vallaroside, 2'-acetate, Vallaroside2 -acetate, Mono-O-acetyl vallaroside
| Molecular Formula | C32H48O9 |
|---|---|
| Molecular Weight | 576.33 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 576.32983 |
| Heavy Atoms | 41 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 4356-53-0 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)C)OC(=O)C)OC)O |
| InChIKey | UYQMTWMXBKEHJQ-CNJUQUCXSA-N |
Product Overview
Mono-O-acetylvallaroside (CAS 4356-53-0), with molecular formula C32H48O9 and molecular weight 576.33 g/mol. IUPAC: [(2R,3R,4S,5S,6S)-5-hydroxy-2-[[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-methoxy-6-methyloxan-3-yl] acetate.
Chemical Property Profile of Mono-O-acetylvallaroside
Property Insights of Mono-O-acetylvallaroside
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mono-O-acetylvallaroside. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Mono-O-acetylvallaroside. Following Lipinski's Rule of Five, Mono-O-acetylvallaroside has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Mono-O-acetylvallaroside?
The CAS number of Mono-O-acetylvallaroside is 4356-53-0.
What is the molecular formula of Mono-O-acetylvallaroside?
The molecular formula of Mono-O-acetylvallaroside is C32H48O9.
What is the molecular weight of Mono-O-acetylvallaroside?
The molecular weight of Mono-O-acetylvallaroside is 576.33 g/mol.
Where can I buy Mono-O-acetylvallaroside?
You can request a quote for Mono-O-acetylvallaroside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mono-O-acetylvallaroside?
Yes, KEHONG BIO provides custom synthesis services for Mono-O-acetylvallaroside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.