Structure Database (LMSD)

Common Name
9S,10R-epoxy-stearic acid
Systematic Name
9S,10R-epoxy-octadecanoic acid
Synonyms
LM ID
LMFA02000001
Status
Active
Exact Mass
Calculate m/z
298.250795
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)
IMYZYCNQZDBZBQ-SJORKVTESA-N
InChi (Click to copy)
InChI=1S/C18H34O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)/t16-,17+/m1/s1
SMILES (Click to copy)
C(CCCCCCC[C@@H]1O[C@@H]1CCCCCCCC)(=O)O

References

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 1
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 331.33
Topological Polar Surface Area 49.83
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 5.89
Molar Refractivity 87.63

Admin

Created at
-
Updated at
-