Structure Database (LMSD)
Common Name
10,13-diepi-10-F2t-dihomo-IsoP
Systematic Name
1a,1b-dihomo-10R,14S,16R-trihydroxy-7Z,11E-prostadienoic acid-cyclo[13R,17R]
Synonyms
- (10R,14S,16R)-10-F2-dihomo-IsoP[13R,17R]
LM ID
LMFA03110305
Formula
Exact Mass
Calculate m/z
382.271925
Sum Composition
Status
Active (generated by computational methods)
3D model of 10,13-diepi-10-F2t-dihomo-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)
IWYIULWJLYZBLM-GTOUJDPISA-N
InChi (Click to copy)
InChI=1S/C22H38O5/c1-2-3-8-12-18-19(21(25)16-20(18)24)15-14-17(23)11-9-6-4-5-7-10-13-22(26)27/h6,9,14-15,17-21,23-25H,2-5,7-8,10-13,16H2,1H3,(H,26,27)/b9-6-,15-14+/t17-,18-,19-,20-,21+/m1/s1
SMILES (Click to copy)
C(CCCCC/C=C\C[C@@H](O)/C=C/[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CCCCC)(=O)O
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
27
Rings
1
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
412.83
Topological Polar Surface Area
97.99
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
5
logP
4.68
Molar Refractivity
108.91
Admin
Created at
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Updated at
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