Structure Database (LMSD)

Common Name
PGF2alpha-11-acetate methyl ester
Systematic Name
methyl 9S,15S-dihydroxy-11R-acetoxy-5Z,13E-prostadienoate
Synonyms
  • Prostaglandin F2alpha-11-acetate methyl ester
LM ID
LMFA03010097
Status
Active
Exact Mass
Calculate m/z
410.26684
Formula
Abbrev


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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)
ZGDWNZMBIMUYME-YNRDDPJXSA-N
InChi (Click to copy)
InChI=1S/C23H38O6/c1-4-5-8-11-18(25)14-15-20-19(21(26)16-22(20)29-17(2)24)12-9-6-7-10-13-23(27)28-3/h6,9,14-15,18-22,25-26H,4-5,7-8,10-13,16H2,1-3H3/b9-6-,15-14+/t18-,19+,20+,21-,22+/m0/s1
SMILES (Click to copy)
[C@H]1(/C=C/[C@@H](O)CCCCC)[C@H](OC(=O)C)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)OC

References

Other Databases

CHEBI ID
LIPIDBANK ID
XPR8051
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 1
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 436.28
Topological Polar Surface Area 93.06
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
logP 4.56
Molar Refractivity 113.61

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Created at
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Updated at
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