Metabolite 13,14-dihydro-PGE1
- Name
- 13,14-dihydro-PGE1
- Description
- Not Available
- Structure
Structure for 13,14-dihydro-PGE1
- Synonyms
- PGE 0
- UNII
- C1R6440YGW
- CAS number
- 19313-28-1
- Weight
- Average: 356.503
Monoisotopic: 356.256274259 - Chemical Formula
- C20H36O5
- InChI Key
- DPOINJQWXDTOSF-LACZJNPZSA-N
- InChI
- InChI=1S/C20H36O5/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/h15-17,19,21,23H,2-14H2,1H3,(H,24,25)/t15?,16-,17-,19-/m1/s1
- IUPAC Name
- 7-[(1R,2R,3R)-3-hydroxy-2-(3-hydroxyoctyl)-5-oxocyclopentyl]heptanoic acid
- SMILES
- CCCCCC(O)CC[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.0758 mg/mL ALOGPS logP 3.38 ALOGPS logP 3.79 Chemaxon logS -3.7 ALOGPS pKa (Strongest Acidic) 4.3 Chemaxon pKa (Strongest Basic) -1.3 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 94.83 Å2 Chemaxon Rotatable Bond Count 14 Chemaxon Refractivity 97.36 m3·mol-1 Chemaxon Polarizability 42.61 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon