Metabolite Tetranor-iloprost
- Name
- Tetranor-iloprost
- Description
- Not Available
- Structure
Structure for Tetranor-iloprost
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 306.402
Monoisotopic: 306.183109317 - Chemical Formula
- C18H26O4
- InChI Key
- YTVUVYIYUCATBP-NWTVIZLBSA-N
- InChI
- InChI=1S/C18H26O4/c1-3-4-5-11(2)16(19)7-6-14-15-9-13(18(21)22)8-12(15)10-17(14)20/h6-7,11-17,19-20H,5,8-10H2,1-2H3,(H,21,22)/b7-6+/t11?,12-,13?,14+,15-,16+,17+/m0/s1
- IUPAC Name
- (3aS,4R,5R,6aS)-5-hydroxy-4-[(1E,3S)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl]-octahydropentalene-2-carboxylic acid
- SMILES
- [H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)C(C)CC#CC)[C@@]1([H])CC(C2)C(O)=O
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- Not Available
- Predicted Properties
Property Value Source logP 2.45 Chemaxon pKa (Strongest Acidic) 4.27 Chemaxon pKa (Strongest Basic) -0.89 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 77.76 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 85.95 m3·mol-1 Chemaxon Polarizability 34.98 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon