Structure Database (LMSD)

Common Name
(+)-cucurbic acid
Systematic Name
{(1R,2S,3S)-3-hydroxy-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetic acid
Synonyms
  • (3R,6S,7S)-cucurbic acid
LM ID
LMFA02020013
Status
Active
Exact Mass
Calculate m/z
212.141245
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)
LYSGIJUGUGJIPS-UOMVISFLSA-N
InChi (Click to copy)
InChI=1S/C12H20O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-11,13H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10+,11+/m1/s1
SMILES (Click to copy)
[C@@H]1(C/C=C\CC)[C@@H](O)CC[C@@H]1CC(=O)O

References

Other Databases

KEGG ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 1
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 224.89
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 2.49
Molar Refractivity 59.03

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Updated at
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