Home Other Building Blocks 125354-16-7
125354-16-7,MFCD00871399
Catalog No.:AA000NFY

125354-16-7 | 10-Acetyl docetaxel

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50mg
≥98%
in stock  
$155.00   $108.00
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100mg
≥98%
in stock  
$292.00   $204.00
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  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA000NFY
Chemical Name:
10-Acetyl docetaxel
CAS Number:
125354-16-7
Molecular Formula:
C45H55NO15
Molecular Weight:
849.9159
MDL Number:
MFCD00871399
SMILES:
CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@@H]3[C@]([C@H]2[C@@H]([C@]2(C(C1=C(C)[C@@H](OC(=O)[C@@H]([C@H](c1ccccc1)NC(=O)OC(C)(C)C)O)C2)(C)C)O)OC(=O)c1ccccc1)(CO3)OC(=O)C
Properties
Computed Properties
 
Complexity:
1770  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
11  
Heavy Atom Count:
61  
Hydrogen Bond Acceptor Count:
15  
Hydrogen Bond Donor Count:
4  
Rotatable Bond Count:
15  
XLogP3:
2.2  

Literature

Title: Gueritte-Voegelein, et al. Relationships between the structure of taxol analogs and their antimitotic activity. Journal of Medicinal Chemistry, 1991. 34(3), 992–998.

Title: Yao, Peng, et al. Preparation of crystal form of dihydrate and DMSO solvate of anticancer compound CX1409. CN107793382A.

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SDS
Tags:125354-16-7 Molecular Formula|125354-16-7 MDL|125354-16-7 SMILES|125354-16-7 10-Acetyl docetaxel