Structure Database (LMSD)

Common Name
N-(3-(15-methyl-hexadecanoyloxy)-13-methyl-tetradecanoyl)-L-serine
Systematic Name
N-(3-(15-methyl-hexadecanoyloxy)-13-methyl-tetradecanoyl)-L-serine
Synonyms
LM ID
LMFA00000005
Status
Active
Exact Mass
Calculate m/z
625.528139
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)
WTGXHHUORCSXNB-DNKZHYAASA-N
InChi (Click to copy)
InChI=1S/C37H71NO6/c1-31(2)25-21-17-13-9-6-5-7-12-16-20-24-28-36(41)44-33(29-35(40)38-34(30-39)37(42)43)27-23-19-15-11-8-10-14-18-22-26-32(3)4/h31-34,39H,5-30H2,1-4H3,(H,38,40)(H,42,43)/t33?,34-/m0/s1
SMILES (Click to copy)
CC(C)CCCCCCCCCCCC(OC(=O)CCCCCCCCCCCCCC(C)C)CC(=O)N[C@@]([H])(CO)C(O)=O

References

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 44
Rings 0
Aromatic Rings 0
Rotatable Bonds 33
Van der Waals Molecular Volume 704.48
Topological Polar Surface Area 112.93
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 10.38
Molar Refractivity 183.15

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Created at
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Updated at
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