Structure Database (LMSD)
Common Name
PGF2alpha-1,9-lactone
Systematic Name
11R,15S-dihydroxy-5Z,13E-prostadienoic acid-1,9S-lactone
Synonyms
- Prostaglandin F2alpha-1,9-lactone
LM ID
LMFA03010196
Formula
Exact Mass
Calculate m/z
336.23006
Sum Composition
Status
Active
3D model of PGF2alpha-1,9-lactone
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)
ZVWMOTMHZYWJPF-WTKFZEAQSA-N
InChi (Click to copy)
InChI=1S/C20H32O4/c1-2-3-6-9-15(21)12-13-16-17-10-7-4-5-8-11-20(23)24-19(17)14-18(16)22/h4,7,12-13,15-19,21-22H,2-3,5-6,8-11,14H2,1H3/b7-4-,13-12+/t15-,16+,17+,18+,19-/m0/s1
SMILES (Click to copy)
[C@H]1(/C=C/[C@@H](O)CCCCC)[C@H](O)C[C@@H]2OC(=O)CCCC=CC[C@H]12
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
2
Aromatic Rings
0
Rotatable Bonds
6
Van der Waals Molecular Volume
357.08
Topological Polar Surface Area
68.83
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
4.38
Molar Refractivity
95.92
Admin
Created at
-
Updated at
3rd Jun 2021