Metabolite Daprodustat M5 metabolite
- Name
- Daprodustat M5 metabolite
- Description
- Not Available
- Structure
Structure for Daprodustat M5 metabolite
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 425.438
Monoisotopic: 425.179814841 - Chemical Formula
- C19H27N3O8
- InChI Key
- UUQNVWIGJOXOOI-FOVPLOTGSA-N
- InChI
- InChI=1S/C19H27N3O8/c23-12-5-1-3-10(7-12)21-17(28)15(16(27)20-9-14(25)26)18(29)22(19(21)30)11-4-2-6-13(24)8-11/h10-13,15,23-24H,1-9H2,(H,20,27)(H,25,26)/t10-,11?,12+,13+,15?/m1/s1
- IUPAC Name
- 2-({1-[(1R,3S)-3-hydroxycyclohexyl]-3-[(3S)-3-hydroxycyclohexyl]-2,4,6-trioxo-1,3-diazinan-5-yl}formamido)acetic acid
- SMILES
- O[C@H]1CCCC(C1)N1C(=O)C(C(=O)NCC(O)=O)C(=O)N([C@@H]2CCC[C@H](O)C2)C1=O
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- Not Available
- Predicted Properties
Property Value Source Water Solubility 5.79 mg/mL ALOGPS logP -0.6 ALOGPS logP -1.5 Chemaxon logS -1.9 ALOGPS pKa (Strongest Acidic) 2.38 Chemaxon pKa (Strongest Basic) -2.7 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 164.55 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 100.14 m3·mol-1 Chemaxon Polarizability 42.34 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon