7-Xylosyl-10-deacetylbaccatin III
TL;DR: 7-Xylosyl-10-deacetylbaccatin III (CAS 157664-03-4) is a chemical compound with molecular formula C34H44O14 and molecular weight 676.27313 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,12,15-trihydroxy-10,14,17,17-tetramethyl-11-oxo-9-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
Also Known As: 7-Xylosyl-10-deacetylbaccatin III, 7-Xylosyl-10-deacetylbaccatin, 7-Xylosyl-10-deacetylbaccatinIII, 10-O-Deacetyl-7-O-beta-D-xylopyranosylbaccatin II, [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,12,15-trihydroxy-10,14,17,17-tetramethyl-11-oxo-9-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
Technical Specifications
| Molecular Formula | C34H44O14 |
| Molecular Weight | 676.27313 g/mol |
| XLogP | -0.9 |
| Topological Polar Surface Area (TPSA) | 219.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 7 |
| Exact Mass | 676.27313 Da |
| Heavy Atoms | 48 |
| Complexity | 1340.0 |
| SMILES | CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O[C@H]6[C@@H]([C@H]([C@@H](CO6)O)O)O)C)O |
| InChIKey | PAYIYFPUFSJTDA-HEJNHQNCSA-N |
Chemical Property Profile of 7-Xylosyl-10-deacetylbaccatin III
Property Insights of 7-Xylosyl-10-deacetylbaccatin III
The XLogP value of -0.9 indicates that 7-Xylosyl-10-deacetylbaccatin III is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 219.0 Ų indicates high polarity, suggesting 7-Xylosyl-10-deacetylbaccatin III may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7-Xylosyl-10-deacetylbaccatin III has 6 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 7-Xylosyl-10-deacetylbaccatin III?
The CAS number of 7-Xylosyl-10-deacetylbaccatin III is 157664-03-4.
What is the molecular formula of 7-Xylosyl-10-deacetylbaccatin III?
The molecular formula of 7-Xylosyl-10-deacetylbaccatin III is C34H44O14.
What is the molecular weight of 7-Xylosyl-10-deacetylbaccatin III?
The molecular weight of 7-Xylosyl-10-deacetylbaccatin III is 676.27313 g/mol.
Where can I buy 7-Xylosyl-10-deacetylbaccatin III?
You can request a quote for 7-Xylosyl-10-deacetylbaccatin III directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-Xylosyl-10-deacetylbaccatin III?
Yes, CoreyChem provides custom synthesis services for 7-Xylosyl-10-deacetylbaccatin III and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.