Structure Database (LMSD)

Common Name
isoLGD2
Systematic Name
9,10-seco-9,11-dioxo-15-hydroxy-5Z,13E-prostadienoic acid
Synonyms
  • iso-Levuglandin D2
LM ID
LMFA03100003
Status
Active
Exact Mass
Calculate m/z
352.224975
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)
MLLWPVVMXGUOHD-FCBYNYORSA-N
InChi (Click to copy)
InChI=1S/C20H32O5/c1-3-4-7-11-18(23)13-14-19(16(2)22)17(15-21)10-8-5-6-9-12-20(24)25/h5,8,13-15,17-19,23H,3-4,6-7,9-12H2,1-2H3,(H,24,25)/b8-5-,14-13+
SMILES (Click to copy)
C(C(=O)C)(C(C/C=C\CCCC(=O)O)C=O)/C=C/C(O)CCCCC

References

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 385.31
Topological Polar Surface Area 91.67
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 3.99
Molar Refractivity 98.77

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Created at
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Updated at
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