Structure Database (LMSD)

Common Name
PGF2alpha methyl ether
Systematic Name
1-methoxy-9S,11R,15S-trihydroxy-5Z,13E-prostadiene
Synonyms
  • Prostaglandin F2alpha methyl ether
LM ID
LMFA03010073
Status
Active
Exact Mass
Calculate m/z
354.27701
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)
VWEVSUSNDAHANL-GPPPFWBLSA-N
InChi (Click to copy)
InChI=1S/C21H38O4/c1-3-4-8-11-17(22)13-14-19-18(20(23)16-21(19)24)12-9-6-5-7-10-15-25-2/h6,9,13-14,17-24H,3-5,7-8,10-12,15-16H2,1-2H3/b9-6-,14-13+/t17-,18+,19+,20-,21+/m0/s1
SMILES (Click to copy)
[C@H]1(/C=C/[C@@H](O)CCCCC)[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCCOC

References

Other Databases

CHEBI ID
LIPIDBANK ID
XPR1755
PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 1
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 389.38
Topological Polar Surface Area 69.92
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 4.75
Molar Refractivity 104.41

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Created at
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Updated at
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