Xxrrg-thoe
TL;DR: Xxrrg-thoe (CAS 141258-70-0) is a chemical compound with molecular formula C58H94O26 and molecular weight 1206.6034 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S,4aR,5R,6aR,6aS,6bR,10S,12aR,14bR)-3,5-dihydroxy-10-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5S,6S)-5-hydroxy-6-methyl-3,4-bis[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy]oxan-2-yl]oxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Also Known As: Xxrrg-thoe, (3S,4aR,5R,6aR,6aS,6bR,10S,12aR,14bR)-3,5-dihydroxy-10-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5S,6S)-5-hydroxy-6-methyl-3,4-bis[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy]oxan-2-yl]oxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid, 3-O-((xylopyranosyl-1-3-xylopyranosyl-1-4-rhamnopyranosyl-1-2)-(rhamnopyranosyl-1-4)-glucopyranosyl)-3,16-trihydroxy-olean-12-en-28-oic acid, 3-O-((xylopyranosyl-1-3-xylopyranosyl-1-4-rhamnopyranosyl-1-2)-(rhamnopyranosyl-1-4)-glucopyranosyl), 3-O-((Xylopyranosyl-1-3-xylopyranosyl-1-4-rhamnopyranosyl-1-2)-(rhamnopyranosyl-1-4)-glucopyranosyl)-3,16-trihydroxyolean-12-en-28-oic acid
Technical Specifications
| Molecular Formula | C58H94O26 |
| Molecular Weight | 1206.6034 g/mol |
| XLogP | -1.3 |
| Topological Polar Surface Area (TPSA) | 413.0 Ų |
| Hydrogen Bond Donors | 15 |
| Hydrogen Bond Acceptors | 26 |
| Rotatable Bonds | 12 |
| Exact Mass | 1206.6034 Da |
| Heavy Atoms | 84 |
| Complexity | 2360.0 |
| 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[C@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)C)O)O[C@@H]4[C@@H]([C@H]([C@@H](CO4)O)O)O)O[C@@H]5[C@@H]([C@H]([C@@H](CO5)O)O)O)O[C@H]6CC[C@@]7([C@H]8CC=C9[C@H]1CC([C@H](C[C@@]1([C@@H](C[C@]9([C@@]8(CCC7C6(C)C)C)C)O)C(=O)O)O)(C)C)C)CO)O)O)O)O |
| InChIKey | SWYCLLUDXGWZGU-WWEOOWPQSA-N |
Chemical Property Profile of Xxrrg-thoe
Property Insights of Xxrrg-thoe
The XLogP value of -1.3 indicates that Xxrrg-thoe is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 413.0 Ų indicates high polarity, suggesting Xxrrg-thoe may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Xxrrg-thoe has 15 hydrogen bond donor(s) and 26 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Xxrrg-thoe?
The CAS number of Xxrrg-thoe is 141258-70-0.
What is the molecular formula of Xxrrg-thoe?
The molecular formula of Xxrrg-thoe is C58H94O26.
What is the molecular weight of Xxrrg-thoe?
The molecular weight of Xxrrg-thoe is 1206.6034 g/mol.
Where can I buy Xxrrg-thoe?
You can request a quote for Xxrrg-thoe directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Xxrrg-thoe?
Yes, CoreyChem provides custom synthesis services for Xxrrg-thoe and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.