Structure Database (LMSD)

Common Name
2-hydroxy-decanedioic acid
Systematic Name
2-hydroxy-decanedioic acid
Synonyms
LM ID
LMFA01170076
Formula
Exact Mass
Calculate m/z
218.115425
Sum Composition
Status
Active

Classification

String Representations

InChiKey (Click to copy)
LPIOYESQKJFWPQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H18O5/c11-8(10(14)15)6-4-2-1-3-5-7-9(12)13/h8,11H,1-7H2,(H,12,13)(H,14,15)
SMILES (Click to copy)
C(=O)(O)C(O)CCCCCCCC(=O)O

Other Databases

HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 220.23
Topological Polar Surface Area 94.83
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 1.53
Molar Refractivity 54.11

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Created at
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Updated at
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