Structure Database (LMSD)

Common Name
Tetranor-PGF1alpha
Systematic Name
2,3,4,5-tetranor-9S,11R,15S-trihydroxy-13E-prostenoic acid
Synonyms
  • Tetranor-PGF2alpha
LM ID
LMFA03010213
Status
Active
Exact Mass
Calculate m/z
300.193675
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
NPXVWXIFJJRRLX-BFBQWKKPSA-N
InChi (Click to copy)
InChI=1S/C16H28O5/c1-2-3-4-5-11(17)6-7-12-13(8-9-16(20)21)15(19)10-14(12)18/h6-7,11-15,17-19H,2-5,8-10H2,1H3,(H,20,21)/b7-6+/t11-,12+,13+,14+,15-/m0/s1
SMILES (Click to copy)
[C@H]1(/C=C/[C@@H](O)CCCCC)[C@H](O)C[C@H](O)[C@@H]1CCC(=O)O

References

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 1
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 311.67
Topological Polar Surface Area 97.99
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP 2.57
Molar Refractivity 81.31

Admin

Created at
-
Updated at
-