AB52081
114977-28-5 | Docetaxel
Manufacturer: A2B Chem
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CatalogNumber
AB52081
ChemicalName
Docetaxel
CasNumber
114977-28-5
MolecularFormula
C43H53NO14
MolecularWeight
807.8792
MdlNumber
MFCD00871399
Smiles
CC(=O)O[C@@]12CO[C@@H]1C[C@@H]([C@@]1([C@@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@@H]([C@H](c3ccccc3)NC(=O)OC(C)(C)C)O)C(=C(C2(C)C)[C@H](C1=O)O)C)C)O
NscNumber
628503
Complexity
1660
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
11
HeavyAtomCount
58
HydrogenBondAcceptorCount
14
HydrogenBondDonorCount
5
RotatableBondCount
13
Xlogp3
1.6
