Structure Database (LMSD)
Common Name
2,3,4,5-tetranor PGF3alpha
Systematic Name
9S,11S,15S trihydroxy-2,3,4,5-tetranorprosta-13,17-dienoic acid
Synonyms
- 2,3,4,5-tetranor Prostaglandin F3alpha
- alpha-tetnor PGF3alpha
LM ID
LMFA03010264
Formula
Exact Mass
Calculate m/z
298.178025
Sum Composition
Status
Curated
3D model of 2,3,4,5-tetranor PGF3alpha
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
String Representations
InChiKey (Click to copy)
GUIQMLJMOSHVFS-AUQOMAEESA-N
InChi (Click to copy)
InChI=1S/C16H26O5/c1-2-3-4-5-11(17)6-7-12-13(8-9-16(20)21)15(19)10-14(12)18/h3-4,6-7,11-15,17-19H,2,5,8-10H2,1H3,(H,20,21)/b4-3-,7-6+/t11-,12+,13+,14+,15-/m0/s1
SMILES (Click to copy)
[C@H]1(/C=C/[C@@H](O)C/C=C\CC)[C@H](O)C[C@H](O)[C@@H]1CCC(=O)O
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
1
Aromatic Rings
Rotatable Bonds
8
Van der Waals Molecular Volume
309.03
Topological Polar Surface Area
97.99
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
5
logP
2.34
Molar Refractivity
81.21
Admin
Created at
24th Jul 2025
Updated at
1st Aug 2025