Structure Database (LMSD)

Common Name
5-hydroxy,3E-sphingosine
Systematic Name
2R-amino-3E-octadecene-1,5-diol
Synonyms
LM ID
LMSP01080004
Status
Active
Exact Mass
Calculate m/z
299.282429
Formula
Abbrev


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)
ZQYNBVSXIQZMEO-TVSYHJGPSA-N
InChi (Click to copy)
InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(21)15-14-17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14+/t17-,18?/m1/s1
SMILES (Click to copy)
C([C@H](N)/C=C/C(O)CCCCCCCCCCCCC)O

References

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 345.90
Topological Polar Surface Area 66.48
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 2
logP 4.78
Molar Refractivity 92.80

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Created at
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Updated at
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