9-deoxy-delta-9-prostaglandin D2

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 196
Total Number of Articles : 241
PubChem 5280884
Molecular Formula

C20H30O4

SMILES

CCCCC[C@@H](/C=C/[C@@H]1[C@H](C=CC1=O)C/C=C\CCCC(=O)O)O

InChI

InChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-13+/t16-,17-,18+/m0/s1

synonyms
  • prostaglandin J2
  • PGJ2
  • 60203-57-8
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Properties
Property Value
MW 334.4 g/mol
HBD 2
HBA 4
Rotatable Bond Count 12
Exact Mass 334.21440943 g/mol
Monoisotopic Mass 334.21440943 g/mol
Heavy Atom Count 24
Isotope Atom Count 0
Atom Stereo Count 3
Covalent Unit Count 1
Complexity 476
xlogp 3.6
Topological Polar Surface Area 74.6