Structure Database (LMSD)

Common Name
N-(3-(hexadecanoyloxy)-heptadecanoyl)-L-ornithine
Systematic Name
N-(3-(hexadecanoyloxy)-heptadecanoyl)-L-ornithine
Synonyms
LM ID
LMFA00000003
Status
Active
Exact Mass
Calculate m/z
638.559773
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)
GSCCUVDKVJUMTG-HTIIIDOHSA-N
InChi (Click to copy)
InChI=1S/C38H74N2O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-37(42)45-34(33-36(41)40-35(38(43)44)30-28-32-39)29-26-24-22-20-18-16-14-12-10-8-6-4-2/h34-35H,3-33,39H2,1-2H3,(H,40,41)(H,43,44)/t34?,35-/m0/s1
SMILES (Click to copy)
C(CCN)[C@](C(=O)O)([H])NC(CC(OC(CCCCCCCCCCCCCCC)=O)CCCCCCCCCCCCCC)=O

References

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 45
Rings 0
Aromatic Rings 0
Rotatable Bonds 36
Van der Waals Molecular Volume 723.99
Topological Polar Surface Area 118.72
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 11.03
Molar Refractivity 189.87

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Created at
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Updated at
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