2-O-Glucopyranosylcucurbitacin F-25-acetate
TL;DR: 2-O-Glucopyranosylcucurbitacin F-25-acetate (CAS 117869-71-3) is a chemical compound with molecular formula C38H58O13 and molecular weight 722.38776 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(E,6R)-6-[(2S,3S,8S,9R,10R,13R,14S,16R,17R)-3,16-dihydroxy-4,4,9,13,14-pentamethyl-11-oxo-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate
Also Known As: Gpc acetate, 2-O-Glucopyranosylcucurbitacin F-25-acetate, HY-N12551, 2-O-, A-D-Glucopyranosylcucurbitacin F 25-acetate
Technical Specifications
| Molecular Formula | C38H58O13 |
| Molecular Weight | 722.38776 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 221.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 9 |
| Exact Mass | 722.38776 Da |
| Heavy Atoms | 51 |
| Complexity | 1470.0 |
| SMILES | CC(=O)OC(C)(C)/C=C/C(=O)[C@@](C)([C@H]1[C@@H](C[C@@]2([C@@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C[C@@H]([C@H](C4(C)C)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)C)O)O |
| InChIKey | JXLGHGQDRCPDGI-HEKOSTPLSA-N |
Chemical Property Profile of 2-O-Glucopyranosylcucurbitacin F-25-acetate
Property Insights of 2-O-Glucopyranosylcucurbitacin F-25-acetate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-O-Glucopyranosylcucurbitacin F-25-acetate. The TPSA of 221.0 Ų indicates high polarity, suggesting 2-O-Glucopyranosylcucurbitacin F-25-acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-O-Glucopyranosylcucurbitacin F-25-acetate has 7 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2-O-Glucopyranosylcucurbitacin F-25-acetate?
The CAS number of 2-O-Glucopyranosylcucurbitacin F-25-acetate is 117869-71-3.
What is the molecular formula of 2-O-Glucopyranosylcucurbitacin F-25-acetate?
The molecular formula of 2-O-Glucopyranosylcucurbitacin F-25-acetate is C38H58O13.
What is the molecular weight of 2-O-Glucopyranosylcucurbitacin F-25-acetate?
The molecular weight of 2-O-Glucopyranosylcucurbitacin F-25-acetate is 722.38776 g/mol.
Where can I buy 2-O-Glucopyranosylcucurbitacin F-25-acetate?
You can request a quote for 2-O-Glucopyranosylcucurbitacin F-25-acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-O-Glucopyranosylcucurbitacin F-25-acetate?
Yes, CoreyChem provides custom synthesis services for 2-O-Glucopyranosylcucurbitacin F-25-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.