7-Xylosyl-10-deacetyltaxol C

Base Information

• Chemical Name: 7-Xylosyl-10-deacetyltaxol C
• CAS No.: 90332-65-3
• Molecular Formula: C49H63 N O17
• Molecular Weight: 938.02
• ChEMBL ID: CHEMBL3397058
• DSSTox Substance ID: DTXSID101308975
• Nikkaji Number: J624.345B
• Wikidata: Q104389138
• Mol file: 90332-65-3.mol

Synonyms:7-Xylosyl-10-deacetyltaxol C;90332-65-3;[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-15-[(2R,3S)-3-(hexanoylamino)-2-hydroxy-3-phenylpropanoyl]oxy-1,12-dihydroxy-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;7-xylosyl-10-deacetyl taxol C;CHEMBL3397058;XGWGQEYABFGJID-UVDBIDMBSA-N;DTXSID101308975;HY-N7777;AKOS040760249;FS-6889;CS-0137312

Chemical Property of 7-Xylosyl-10-deacetyltaxol C

Chemical Property:

• Boiling Point: 1042.1±65.0 °C(Predicted)
• PKA: 11.26±0.70(Predicted)
• PSA: 274.14000
• Density: 1.41±0.1 g/cm3(Predicted)
• LogP: 2.28560
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 17
• Exact Mass: 937.40959954
• Heavy Atom Count: 67
• Complexity: 1880

Purity/Quality:

98%Min ^*data from raw suppliers

7-Xylosyl-10-deacetyltaxolC ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(=O)NC(C1=CC=CC=C1)C(C(=O)OC2CC3(C(C4C(C(CC5C4(CO5)OC(=O)C)OC6C(C(C(CO6)O)O)O)(C(=O)C(C(=C2C)C3(C)C)O)C)OC(=O)C7=CC=CC=C7)O)O
• Isomeric SMILES: CCCCCC(=O)N[C@@H](C1=CC=CC=C1)[C@H](C(=O)O[C@H]2C[C@]3([C@H]([C@H]4[C@@]([C@H](C[C@@H]5[C@]4(CO5)OC(=O)C)O[C@H]6[C@@H]([C@H]([C@@H](CO6)O)O)O)(C(=O)[C@@H](C(=C2C)C3(C)C)O)C)OC(=O)C7=CC=CC=C7)O)O