Cucumechinoside B
TL;DR: Cucumechinoside B (CAS 125640-31-5) is a chemical compound with molecular formula C53H82O28S2 and molecular weight 1230.4434 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-2-[4,5-dihydroxy-6-[4-hydroxy-2-[[2,6,13,17,17-pentamethyl-6-(4-methyl-2-oxopentyl)-4,8-dioxo-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-1(20)-en-16-yl]oxy]-5-sulfooxyoxan-3-yl]oxy-2-methyloxan-3-yl]oxy-5-hydroxyoxan-3-yl] hydrogen sulfate
Also Known As: Cucumechinoside B, Ledipasvir Intermediate 12
Technical Specifications
| Molecular Formula | C53H82O28S2 |
| Molecular Weight | 1230.4434 g/mol |
| XLogP | -1.9 |
| Topological Polar Surface Area (TPSA) | 429.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 28 |
| Rotatable Bonds | 18 |
| Exact Mass | 1230.4434 Da |
| Heavy Atoms | 83 |
| Complexity | 2660.0 |
| SMILES | CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C5CCC67C(C(=O)CC6(C5=CCC4C3(C)C)C)C(OC7=O)(C)CC(=O)CC(C)C)C)OS(=O)(=O)O)O)O)O)OC8C(C(C(CO8)O)OC9C(C(C(C(O9)CO)O)OC)O)OS(=O)(=O)O |
| InChIKey | PCNIQSXRCOBXDA-UHFFFAOYSA-N |
Chemical Property Profile of Cucumechinoside B
Property Insights of Cucumechinoside B
The XLogP value of -1.9 indicates that Cucumechinoside B is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 429.0 Ų indicates high polarity, suggesting Cucumechinoside B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cucumechinoside B has 9 hydrogen bond donor(s) and 28 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Cucumechinoside B?
The CAS number of Cucumechinoside B is 125640-31-5.
What is the molecular formula of Cucumechinoside B?
The molecular formula of Cucumechinoside B is C53H82O28S2.
What is the molecular weight of Cucumechinoside B?
The molecular weight of Cucumechinoside B is 1230.4434 g/mol.
Where can I buy Cucumechinoside B?
You can request a quote for Cucumechinoside B directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cucumechinoside B?
Yes, CoreyChem provides custom synthesis services for Cucumechinoside B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.