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
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 Value | |
| Mol Name | Erythromycin |
| Molweight | 733.933 |
| Monoisotopic Mass | 733.461244 |
| Clogp | 1.6719 |
| Clogs | -3.645 |
| H Acceptors | 14 |
| H Donors | 5 |
| Total Surface Area | 543.7 |
| Relative Psa | 0.28532 |
| Polar Surface Area | 193.91 |
| Druglikeness | 11.291 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.29412 |
| Molecular Flexibility | 0.36782 |
| Molecular Complexity | 0.98937 |
| Fragments | 1 |
| Non H Atoms | 51 |
| Non Ch Atoms | 14 |
| Electronegative Atoms | 14 |
| Stereo Centers | 18 |
| Rotatable Bonds | 7 |
| Rings Closures | 3 |
| Small Rings | 2 |
| Sp3 Atoms | 47 |
| Symmetric Atoms | 1 |
| Amines | 1 |
| Alkyl Amines | 1 |
| Basic Nitrogens | 1 |
| 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 |
| InChIKey | InChI=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 |
| InChI | ULGZDMOVFRHVEP-QWTJRFEGSA-N |
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1 - Erythromycin
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1 - Erythromycin
2 - Erythromycin
| |spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface | Mep | Translucent | Spin | Label On| Off |