10-Deacetyl-7-xylosyl Paclitaxel

Base Information

• Chemical Name: 10-Deacetyl-7-xylosyl Paclitaxel
• CAS No.: 90332-63-1
• Molecular Formula: C₅₀H₅₇NO₁₇
• Molecular Weight: 943.999
• DSSTox Substance ID: DTXSID201311735
• Nikkaji Number: J624.343F
• Metabolomics Workbench ID: 131742
• ChEMBL ID: CHEMBL3398367
• Mol file: 90332-63-1.mol

Synonyms:7-xylosyl-10-deacetyl-taxol;7-xylosyl-10-deacetyltaxol

Chemical Property of 10-Deacetyl-7-xylosyl Paclitaxel

Chemical Property:

• Boiling Point: 1068.4 °C at 760 mmHg
• PKA: 11.26±0.70(Predicted)
• Flash Point: 599.9 °C
• PSA: 274.14000
• Density: 1.46 g/cm³
• LogP: 2.01910
• Storage Temp.: Hygroscopic, -20°C Freezer, Under Inert Atmosphere
• Solubility.: DMSO (Slightly, Heated, Sonicated), Methanol (Slightly, Heated, Sonicated)
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 14
• Exact Mass: 943.36264935
• Heavy Atom Count: 68
• Complexity: 1940

Purity/Quality:

99% ^*data from raw suppliers

10-Deacetyl-7-xylosylPaclitaxel(62%) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)OC8C(C(C(CO8)O)O)O)C)O
• Isomeric 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]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)C)O
• Uses: A metabolite of Paclitaxel (P132500). Paclitaxel - In House Impurity. A metabolite of Paclitaxel (P132500).

Technology Process of 10-Deacetyl-7-xylosyl Paclitaxel

There total 2 articles about 10-Deacetyl-7-xylosyl Paclitaxel which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

C65H62Cl15NO27 → 7-O-(β-xylosyl)-10-deacetyltaxol (90332-63-1)

Guidance literature:

With acetic acid; zinc; In methanol; at 20 ℃; for 4h; Temperature;

Reference yield:

→ 7-xylosyl-10-deacetyl taxol (90332-63-1)

Guidance literature:

Reference yield:

7-O-(β-xylosyl)-10-deacetyltaxol (90332-63-1) → 7-β-D-xylosylbaccatin III (157664-03-4)

Guidance literature:

pH=9; PBS buffer;

DOI:10.1016/j.molcatb.2010.11.013

Downstream raw materials:

7-β-D-xylosylbaccatin III

Refernces

• 1、 -. "METHOD FOR THE PRODUCTION OF TAXOL AND/OR TAXANES FROM CULTURES OF HAZEL CELLS". . . Retrieved 2008/06/13.