7-Xylosyl-10-deacetyltaxol B

Base Information

• Chemical Name: 7-Xylosyl-10-deacetyltaxol B
• CAS No.: 90332-64-2
• Molecular Formula: C48H59NO17
• Molecular Weight: 921.98
• ChEMBL ID: CHEMBL3398370
• DSSTox Substance ID: DTXSID601309623
• Nikkaji Number: J648.324K
• Wikidata: Q104392856
• Mol file: 90332-64-2.mol

Synonyms:7-Xylosyl-10-deacetyltaxol B;90332-64-2;[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,12-dihydroxy-15-[(2R,3S)-2-hydroxy-3-[[(E)-2-methylbut-2-enoyl]amino]-3-phenylpropanoyl]oxy-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;10-Deacetyl-7-xylosyltaxol B;YAOWLIDDDUBAEI-ZVZSAYPQSA-N;7-xylosyl-10-deacetyl-taxol B;CHEMBL3398370;DTXSID601309623;HY-N7776;AKOS040760248;CS-0137310

Chemical Property of 7-Xylosyl-10-deacetyltaxol B

Chemical Property:

• Boiling Point: 1041.3±65.0 °C(Predicted)
• PKA: 11.26±0.70(Predicted)
• Density: 1.43±0.1 g/cm3(Predicted)
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 14
• Exact Mass: 921.37829941
• Heavy Atom Count: 66
• Complexity: 1940

Purity/Quality:

98%Min ^*data from raw suppliers

7-Xylosyl-10-deacetyltaxolB 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC=C(C)C(=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: C/C=C(\C)/C(=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