Enprostil

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 13
Total Number of Articles : 20
PubChem 54207505
Molecular Formula

C23H28O6

SMILES

COC(=O)CCC=C=CC[C@@H]1[C@H]([C@@H](CC1=O)O)C=C[C@H](COC2=CC=CC=C2)O

InChI

InChI=1S/C23H28O6/c1-28-23(27)12-8-3-2-7-11-19-20(22(26)15-21(19)25)14-13-17(24)16-29-18-9-5-4-6-10-18/h3-7,9-10,13-14,17,19-20,22,24,26H,8,11-12,15-16H2,1H3/t2?,17-,19-,20-,22-/m1/s1

synonyms
  • enprostil
  • 73121-56-9
  • methyl 7-((1R,2R,3R)-3-hydroxy-2-((R,E)-3-hydroxy-4-phenoxybut-1-enyl)-5-oxocyclopentyl)hepta-4,5-dienoate
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Properties
Property Value
MW 400.5 g/mol
HBD 2
HBA 6
Rotatable Bond Count 11
Exact Mass 400.18858861 g/mol
Monoisotopic Mass 400.18858861 g/mol
Heavy Atom Count 29
Isotope Atom Count 0
Atom Stereo Count 4
Covalent Unit Count 1
Complexity 613
xlogp 1.3
Topological Polar Surface Area 93.1