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2D Structure

Erythromycin


  • SKU Code: CH139934
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Chemical Name - Erythromycin
Mol Weight - 733.933
Smiles - CC[C@H]([C@](C)([C@@H]([C@@H](C)C([C@H](C)C[C@](C)([C@@H]([C@@H](C)[C@@H]([C@H]1C)O[C@@H](C[C@@]2(C)OC)O[C@@H](C)[C@@H]2O)O[C@@H]([C@@H]2O)O[C@H](C)C[C@@H]2N(C)C)O)=O)O)O)OC1=O
Property Name Property Value
Mol NameErythromycin
Molweight733.933
Monoisotopic Mass733.461244
Clogp1.6719
Clogs-3.645
H Acceptors14
H Donors5
Total Surface Area543.7
Relative Psa0.28532
Polar Surface Area193.91
Druglikeness11.291
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.29412
Molecular Flexibility0.36782
Molecular Complexity0.98937
Fragments1
Non H Atoms51
Non Ch Atoms14
Electronegative Atoms14
Stereo Centers18
Rotatable Bonds7
Rings Closures3
Small Rings2
Sp3 Atoms47
Symmetric Atoms1
Amines1
Alkyl Amines1
Basic Nitrogens1
SmilesCC[C@H]([C@](C)([C@@H]([C@@H](C)C([C@H](C)C[C@](C)([C@@H]([C@@H](C)[C@@H]([C@H]1C)O[C@@H](C[C@@]2(C)OC)O[C@@H](C)[C@@H]2O)O[C@@H]([C@@H]2O)O[C@H](C)C[C@@H]2N(C)C)O)=O)O)O)OC1=O
InChIKeyInChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-4
InChIULGZDMOVFRHVEP-QWTJRFEGSA-N

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