Metabolite 1, 2 Dinor Latanoprost Acid
- Name
- 1, 2 Dinor Latanoprost Acid
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- 65SZ481V2C
- CAS number
- Not Available
- Weight
- Average: 362.466
Monoisotopic: 362.209324066 - Chemical Formula
- C21H30O5
- InChI Key
- OFWJWONOOHEBFJ-PIUGYIEYSA-N
- InChI
- InChI=1S/C21H30O5/c22-16(11-10-15-6-2-1-3-7-15)12-13-18-17(19(23)14-20(18)24)8-4-5-9-21(25)26/h1-7,16-20,22-24H,8-14H2,(H,25,26)/b5-4-/t16-,17+,18+,19-,20+/m0/s1
- IUPAC Name
- (3Z)-5-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]pent-3-enoic acid
- SMILES
- [H]\C(CC(O)=O)=C(/[H])C[C@@]1([H])[C@@]([H])(O)C[C@@]([H])(O)[C@]1([H])CC[C@@]([H])(O)CCC1=CC=CC=C1
- Reactions
- Latanoprost Latanoprost acid
- Latanoprost acid 1, 2 Dinor Latanoprost Acid and 1,2,3,4 Tetranor Latanoprost Acid
- Latanoprost Latanoprost acid
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 179.34303 predictedDeepCCS 1.0 (2019) [M+H]+ 181.16794 predictedDeepCCS 1.0 (2019) [M+Na]+ 186.83131 predictedDeepCCS 1.0 (2019) - External Links
- ChemSpider
- 52083797
- Predicted Properties
Property Value Source Water Solubility 0.131 mg/mL ALOGPS logP 3.24 ALOGPS logP 2.17 Chemaxon logS -3.4 ALOGPS pKa (Strongest Acidic) 4.45 Chemaxon pKa (Strongest Basic) -2.7 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 97.99 Å2 Chemaxon Rotatable Bond Count 10 Chemaxon Refractivity 101.2 m3·mol-1 Chemaxon Polarizability 40.44 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