Structure Database (LMSD)

Common Name
Erythromycin D
Systematic Name
Synonyms
LM ID
LMPK04000010
Status
Active
Exact Mass
Calculate m/z
703.450679
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
CLQUUOKNEOQBSW-DGAFEIGRSA-N
InChi (Click to copy)
InChI=1S/C36H65NO12/c1-13-25-19(4)28(39)20(5)27(38)17(2)15-36(10,44)32(49-34-29(40)24(37(11)12)14-18(3)45-34)21(6)30(22(7)33(42)47-25)48-26-16-35(9,43)31(41)23(8)46-26/h17-26,28-32,34,39-41,43-44H,13-16H2,1-12H3/t17-,18-,19+,20+,21+,22-,23+,24+,25-,26?,28+,29-,30+,31+,32-,34?,35-,36-/m1/s1
SMILES (Click to copy)
[C@@H]1([C@@](O)(C)C[C@@H](C)C(=O)[C@H](C)[C@H]([C@@H](C)[C@@H](CC)OC(=O)[C@H](C)[C@@H](OC2O[C@H]([C@H](O)[C@@](O)(C)C2)C)[C@@H]1C)O)OC1O[C@@H](C[C@H](N(C)C)[C@H]1O)C

References

Other Databases

Wikipedia
KEGG ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 49
Rings 3
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 705.48
Topological Polar Surface Area 190.89
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 13
logP 5.74
Molar Refractivity 186.66

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Created at
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Updated at
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