Structure Database (LMSD)

Common Name
PGF3alpha-1,15-lactone
Systematic Name
9S,11R-dihydroxy-5Z,13E,17Z-prostatrienoic acid-1,15S-lactone
Synonyms
  • Prostaglandin F3alpha-1,15-lactone
LM ID
LMFA03010197
Status
Active
Exact Mass
Calculate m/z
334.21441
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)
PSLAHCPLUFYWAH-SAMSIYEGSA-N
InChi (Click to copy)
InChI=1S/C20H30O4/c1-2-3-6-9-15-12-13-17-16(18(21)14-19(17)22)10-7-4-5-8-11-20(23)24-15/h3-4,6-7,12-13,15-19,21-22H,2,5,8-11,14H2,1H3/b6-3-,7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1
SMILES (Click to copy)
O[C@@H]1C[C@@H]([C@@H]2CC=CCCCC(=O)O[C@@H](C/C=C\CC)C=C[C@H]21)O

References

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 2
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 354.44
Topological Polar Surface Area 68.83
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 4.16
Molar Refractivity 95.82

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Created at
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Updated at
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