7-Xylosyltaxol

Base Information

• Chemical Name: 7-Xylosyltaxol
• CAS No.: 90332-66-4
• Molecular Formula: C52H59NO18
• Molecular Weight: 986.03636
• DSSTox Substance ID: DTXSID10454873
• Nikkaji Number: J667.235C
• Wikidata: Q72535326
• Metabolomics Workbench ID: 131744
• ChEMBL ID: CHEMBL3398369
• Mol file: 90332-66-4.mol

Synonyms:7-Xylosyltaxol;Taxol-7-xyloside;90332-66-4;[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1-hydroxy-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;CHEMBL3398369;DTXSID10454873;ZVEGOBHUZTXSFK-TZIKQHFSSA-N;AKOS040750460;CS-1154;HY-77574

Chemical Property of 7-Xylosyltaxol

Chemical Property:

• Boiling Point: 1062.337 °C at 760 mmHg
• PKA: 11.90±0.20(Predicted)
• Flash Point: 596.28 °C
• PSA: 280.21000
• Density: 1.451 g/cm³
• LogP: 2.58990
• XLogP3: 1
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 16
• Exact Mass: 985.37321403
• Heavy Atom Count: 71
• Complexity: 2060

Purity/Quality:

99% ^*data from raw suppliers

7-?Xylosyltaxol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

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)OC(=O)C
• 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)OC(=O)C
• Uses: 7-?Xylosyltaxol is used by the bacterial strain Moraxella species to remove the xylosyl group and make xylosyltaxanes available as sorces of 10-deacetylbaccatin III for semisynthesis of Paclitaxel (P132500) in which paclitaxel is used as an anticancer treatment. Paclitaxel - In House Impurity.