Structure Database (LMSD)
Common Name
15-epi-15-F2t-IsoP
Systematic Name
9S,11R,15R-trihydroxy-5Z,13E-prostadienoic acid-cyclo[8S,12R]
Synonyms
- (9S,11R,15R)-15-F2-IsoP[8S,12R]
LM ID
LMFA03110030
Formula
Exact Mass
Calculate m/z
354.240625
Sum Composition
Status
Computationally Generated
3D model of 15-epi-15-F2t-IsoP
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Biological Context
This information has been provided by Cayman Chemical
String Representations
InChiKey (Click to copy)
PXGPLTODNUVGFL-PGWUFSIFSA-N
InChi (Click to copy)
InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17-,18+,19-/m1/s1
SMILES (Click to copy)
C(CCC/C=C\C[C@H]1[C@@H](/C=C/[C@H](O)CCCCC)[C@H](O)C[C@@H]1O)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
25
Rings
1
Aromatic Rings
0
Rotatable Bonds
12
Van der Waals Molecular Volume
378.23
Topological Polar Surface Area
97.99
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
5
logP
3.90
Molar Refractivity
99.68
Admin
Created at
-
Updated at
-