1-O-(2',3'-Diacetylfucopyranosyl-(4'-sulfate))-5-spirostan-1-ol 3-acetate
TL;DR: 1-O-(2',3'-Diacetylfucopyranosyl-(4'-sulfate))-5-spirostan-1-ol 3-acetate (CAS 151589-16-1) is a chemical compound with molecular formula C39H60O14S and molecular weight 784.37036 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(1S,2S,5'S,7S,8R,9S,12S,13S,14R,16R,18S)-14-[(2S,3S,5R,6S)-3,4-diacetyloxy-6-methyl-5-sulfooxyoxan-2-yl]oxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl] acetate
Also Known As: 1-O-2AcFS-Ssoa, 4-hexylsulfanylbenzeneboronic acid, Brisbagenin fucoside-4-(hydrogen sulfate) triacetate, 1-O-(2',3'-Diacetylfucopyranosyl-(4'-sulfate))-5-spirostan-1-ol 3-acetate, 1-[(2,3-Di-O-acetyl-6-deoxy-4-O-sulfohexopyranosyl)oxy]spirostan-3-yl acetate
Technical Specifications
| Molecular Formula | C39H60O14S |
| Molecular Weight | 784.37036 g/mol |
| XLogP | 5.8 |
| Topological Polar Surface Area (TPSA) | 188.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 10 |
| Exact Mass | 784.37036 Da |
| Heavy Atoms | 54 |
| Complexity | 1570.0 |
| SMILES | C[C@H]1CCC2([C@H]([C@H]3C(O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5([C@@H](C[C@@H](C6)OC(=O)C)O[C@@H]7[C@H](C([C@@H]([C@@H](O7)C)OS(=O)(=O)O)OC(=O)C)OC(=O)C)C)C)C)OC1 |
| InChIKey | YQRRHFLZNMAPGC-RYLBHAIISA-N |
Chemical Property Profile of 1-O-(2',3'-Diacetylfucopyranosyl-(4'-sulfate))-5-spirostan-1-ol 3-acetate
Property Insights of 1-O-(2',3'-Diacetylfucopyranosyl-(4'-sulfate))-5-spirostan-1-ol 3-acetate
The XLogP value of 5.8 indicates that 1-O-(2',3'-Diacetylfucopyranosyl-(4'-sulfate))-5-spirostan-1-ol 3-acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 188.0 Ų indicates high polarity, suggesting 1-O-(2',3'-Diacetylfucopyranosyl-(4'-sulfate))-5-spirostan-1-ol 3-acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-O-(2',3'-Diacetylfucopyranosyl-(4'-sulfate))-5-spirostan-1-ol 3-acetate has 1 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1-O-(2',3'-Diacetylfucopyranosyl-(4'-sulfate))-5-spirostan-1-ol 3-acetate?
The CAS number of 1-O-(2',3'-Diacetylfucopyranosyl-(4'-sulfate))-5-spirostan-1-ol 3-acetate is 151589-16-1.
What is the molecular formula of 1-O-(2',3'-Diacetylfucopyranosyl-(4'-sulfate))-5-spirostan-1-ol 3-acetate?
The molecular formula of 1-O-(2',3'-Diacetylfucopyranosyl-(4'-sulfate))-5-spirostan-1-ol 3-acetate is C39H60O14S.
What is the molecular weight of 1-O-(2',3'-Diacetylfucopyranosyl-(4'-sulfate))-5-spirostan-1-ol 3-acetate?
The molecular weight of 1-O-(2',3'-Diacetylfucopyranosyl-(4'-sulfate))-5-spirostan-1-ol 3-acetate is 784.37036 g/mol.
Where can I buy 1-O-(2',3'-Diacetylfucopyranosyl-(4'-sulfate))-5-spirostan-1-ol 3-acetate?
You can request a quote for 1-O-(2',3'-Diacetylfucopyranosyl-(4'-sulfate))-5-spirostan-1-ol 3-acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-O-(2',3'-Diacetylfucopyranosyl-(4'-sulfate))-5-spirostan-1-ol 3-acetate?
Yes, CoreyChem provides custom synthesis services for 1-O-(2',3'-Diacetylfucopyranosyl-(4'-sulfate))-5-spirostan-1-ol 3-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.