Structure Database (LMSD)

Common Name
(-)-12-hydroxy-9,10-dihydrojasmonic acid
Systematic Name
[(1R,2R)-2-(5-hydroxypentyl)-3-oxocyclopentyl]acetic acid
Synonyms
  • (-)-(3R,7R)-9,10-dihydro-12-hydroxyjasmonic acid
LM ID
LMFA02020015
Status
Active
Exact Mass
Calculate m/z
228.13616
Formula
Abbrev


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MDLMOL SDF CSV TSV
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Main

Classification

String Representations

InChiKey (Click to copy)
SXFKEAKOXUOQGN-NXEZZACHSA-N
InChi (Click to copy)
InChI=1S/C12H20O4/c13-7-3-1-2-4-10-9(8-12(15)16)5-6-11(10)14/h9-10,13H,1-8H2,(H,15,16)/t9-,10-/m1/s1
SMILES (Click to copy)
C1(=O)[C@H](CCCCCO)[C@@H](CC(=O)O)CC1

References

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 1
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 233.68
Topological Polar Surface Area 74.60
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 1.89
Molar Refractivity 59.52

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Created at
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Updated at
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