Metabolite Genz-311752
- Name
- Genz-311752
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- PD25S4ZNF6
- CAS number
- Not Available
- Weight
- Average: 420.55
Monoisotopic: 420.262422267 - Chemical Formula
- C23H36N2O5
- InChI Key
- NDYJAEXGZYLLTP-DLCOBIQGSA-N
- InChI
- InChI=1S/C23H36N2O5/c1-2-18(26)7-3-4-8-22(27)24-19(16-25-11-5-6-12-25)23(28)17-9-10-20-21(15-17)30-14-13-29-20/h9-10,15,18-19,23,26,28H,2-8,11-14,16H2,1H3,(H,24,27)/t18?,19-,23-/m1/s1
- IUPAC Name
- N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-(pyrrolidin-1-yl)propan-2-yl]-6-hydroxyoctanamide
- SMILES
- CCC(O)CCCCC(=O)N[C@H](CN1CCCC1)[C@H](O)C1=CC=C2OCCOC2=C1
- Reactions
- Eliglustat Genz-311752
- Genz-311752 Genz-527862
- Genz-527862 Genz-399240
- Genz-527862 Genz-682042
- Genz-311752 Genz-527862
- Eliglustat Genz-311752
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 204.23055 predictedDeepCCS 1.0 (2019) [M+H]+ 206.71748 predictedDeepCCS 1.0 (2019) [M+Na]+ 213.9072 predictedDeepCCS 1.0 (2019) - External Links
- Not Available
- Predicted Properties
Property Value Source logP 1.82 Chemaxon pKa (Strongest Acidic) 13.47 Chemaxon pKa (Strongest Basic) 8.17 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 91.26 Å2 Chemaxon Rotatable Bond Count 11 Chemaxon Refractivity 115.43 m3·mol-1 Chemaxon Polarizability 47.58 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon