Structure Database (LMSD)

Common Name
PGF2alpha isopropyl ester
Systematic Name
isopropyl 9S,11R,15S-trihydroxy-5Z,13E-prostadienoate
Synonyms
  • Prostaglandin F2alpha isopropyl ester
LM ID
LMFA03010076
Status
Active
Exact Mass
Calculate m/z
396.287575
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)
FPABVZYYTCHNMK-YNRDDPJXSA-N
InChi (Click to copy)
InChI=1S/C23H40O5/c1-4-5-8-11-18(24)14-15-20-19(21(25)16-22(20)26)12-9-6-7-10-13-23(27)28-17(2)3/h6,9,14-15,17-22,24-26H,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](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)OC(C)C

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
Dose-related effects of prostaglandin F2 alpha isopropylester on intraocular pressure, refraction, and pupil diameter in monkeys.,
Invest Ophthalmol Vis Sci, 1991
Pubmed ID: 1878020

Other Databases

CHEBI ID
LIPIDBANK ID
XPR1758
PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 1
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 430.13
Topological Polar Surface Area 86.99
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 5.06
Molar Refractivity 113.78

Admin

Created at
-
Updated at
-