AB52188
104987-11-3 | Tacrolimus
Manufacturer: A2B Chem
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CatalogNumber
AB52188
ChemicalName
Tacrolimus
CasNumber
104987-11-3
MolecularFormula
C44H69NO12
MolecularWeight
804.0182
MdlNumber
MFCD00869853
Smiles
C=CC[C@@H]1/C=C(\C)/C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@@H](C[C@@H]2OC)C)C(=O)C(=O)N2[C@H](C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]1CC[C@H]([C@@H](C1)OC)O)/C)CCCC2
NscNumber
758659
Complexity
1480
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
14
DefinedBondStereocenterCount
2
HeavyAtomCount
57
HydrogenBondAcceptorCount
12
HydrogenBondDonorCount
3
RotatableBondCount
7
Xlogp3
2.7
