Pneumonanthoside
TL;DR: Pneumonanthoside (CAS 110064-61-4) is a chemical compound with molecular formula C24H38O11 and molecular weight 502.24142 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,5,5-trimethyl-4-[(E)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxybut-1-enyl]cyclohex-2-en-1-one
Also Known As: Pneumonanthoside, 2-Cyclohexen-1-one,4-((1E)-3-((6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranosyl)oxy)-1-buten-1-yl)-3,5,5-trimethyl-, 3,5,5-trimethyl-4-[(E)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxybut-1-enyl]cyclohex-2-en-1-one
Technical Specifications
| Molecular Formula | C24H38O11 |
| Molecular Weight | 502.24142 g/mol |
| XLogP | -2.0 |
| Topological Polar Surface Area (TPSA) | 175.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 502.24142 Da |
| Heavy Atoms | 35 |
| Complexity | 796.0 |
| SMILES | CC1=CC(=O)CC(C1/C=C/C(C)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@H](CO3)O)O)O)O)O)O)(C)C |
| InChIKey | FFYPJOJFUJFYAT-GGJJRZQFSA-N |
Chemical Property Profile of Pneumonanthoside
Property Insights of Pneumonanthoside
The XLogP value of -2.0 indicates that Pneumonanthoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 175.0 Ų indicates high polarity, suggesting Pneumonanthoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pneumonanthoside has 6 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Pneumonanthoside?
The CAS number of Pneumonanthoside is 110064-61-4.
What is the molecular formula of Pneumonanthoside?
The molecular formula of Pneumonanthoside is C24H38O11.
What is the molecular weight of Pneumonanthoside?
The molecular weight of Pneumonanthoside is 502.24142 g/mol.
Where can I buy Pneumonanthoside?
You can request a quote for Pneumonanthoside directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pneumonanthoside?
Yes, CoreyChem provides custom synthesis services for Pneumonanthoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.