Structure Database (LMSD)
Common Name
ent-5,12-diepi-12-F2t-IsoP
Systematic Name
6R,8S,12S-trihydroxy-10E,14Z-prostadienoic acid-cyclo[5S,9S]
Synonyms
- (6R,8S,12S)-12-F2-IsoP[5S,9S]
LM ID
LMFA03110162
Formula
Exact Mass
Calculate m/z
354.240625
Sum Composition
Status
Active (generated by computational methods)
3D model of ent-5,12-diepi-12-F2t-IsoP
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
ZOCFIYOANZRNDX-GRZFXSKDSA-N
InChi (Click to copy)
InChI=1S/C20H34O5/c1-2-3-4-5-6-7-9-15(21)12-13-17-16(10-8-11-20(24)25)18(22)14-19(17)23/h6-7,12-13,15-19,21-23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16-,17-,18+,19-/m0/s1
SMILES (Click to copy)
C(CCC[C@@H]1[C@H](O)C[C@H](O)[C@H]1/C=C/[C@@H](O)C/C=C\CCCCC)(=O)O
Other Databases
PubChem CID
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
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Updated at
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