Structure Database (LMSD)

Common Name
Hemsleyin imine A
Systematic Name
Synonyms
LM ID
LMSP01080019
Status
Active
Exact Mass
Calculate m/z
605.574694
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)
SVXFXYCXVLPKDZ-OFZCPIKPSA-N
InChi (Click to copy)
InChI=1S/C39H75NO3/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-38(42)37(36-41)40-39(43)35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h32,34,38,41-42H,3-31,33,35-36H2,1-2H3/b34-32+,40-37-
SMILES (Click to copy)
C(C)CCCCCCCCCCCCCC/C=C/C(O)/C(=N\C(=O)CCCCCCCCCCCCCCCCC)/CO

References

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 43
Rings 0
Aromatic Rings 0
Rotatable Bonds 34
Van der Waals Molecular Volume 712.71
Topological Polar Surface Area 69.89
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 12.57
Molar Refractivity 190.15

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Created at
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Updated at
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