PROSTAGLANDIN D1

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII FOT50Z88GW

Structure

InChI Key CIMMACURCPXICP-PNQRDDRVSA-N
Smiles CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](CCCCCCC(O)=O)[C@@H](O)CC1=O
InChI
InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-18,21-22H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,18-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H34O5
Molecular Weight 354.24
AlogP 3.48
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 13.0
Polar Surface Area 94.83
Heavy Atoms 25.0

Cross References

Resources Reference
CAS NUMBER 17968-82-0
NORMAN SUSDAT
FDA SRS FOT50Z88GW
CONTENTS