Structure Database (LMSD)

Common Name
5,6-dihydroxy stearic acid
Systematic Name
5,6-dihydroxy-octadecanoic acid
Synonyms
LM ID
LMFA02000138
Formula
Exact Mass
Calculate m/z
316.26136
Sum Composition
Status
Active

Main

Classification

String Representations

InChiKey (Click to copy)
VAAGTTZMSIIGFU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H36O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(19)17(20)14-12-15-18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22)
SMILES (Click to copy)
C(CCCC)CCCCCCCC(O)C(O)CCCC(=O)O

References

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 352.48
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 4.85
Molar Refractivity 90.99

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Created at
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Updated at
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