Metabolite Daprodustat M3 metabolite
- Name
- Daprodustat M3 metabolite
- Description
- Not Available
- Structure
Structure for Daprodustat M3 metabolite
- Synonyms
- Not Available
- External IDs
- GSK2506104
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 427.454
Monoisotopic: 427.195464906 - Chemical Formula
- C19H29N3O8
- InChI Key
- IFGDNAYYQJZSHM-MGJMGWJTSA-N
- InChI
- InChI=1S/C19H29N3O8/c23-12-6-4-10(5-7-12)21-17(28)15(16(27)20-9-14(25)26)18(29)22(19(21)30)11-2-1-3-13(24)8-11/h10-13,15,17,23-24,28H,1-9H2,(H,20,27)(H,25,26)/t10-,11?,12-,13-,15?,17?/m1/s1
- IUPAC Name
- 2-({4-hydroxy-1-[(3R)-3-hydroxycyclohexyl]-2,6-dioxo-3-[(1r,4r)-4-hydroxycyclohexyl]-1,3-diazinan-5-yl}formamido)acetic acid
- SMILES
- O[C@H]1CC[C@@H](CC1)N1C(O)C(C(=O)NCC(O)=O)C(=O)N(C2CCC[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 37.3 mg/mL ALOGPS logP -1 ALOGPS logP -1.7 Chemaxon logS -1.1 ALOGPS pKa (Strongest Acidic) 3.48 Chemaxon pKa (Strongest Basic) -2.7 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 5 Chemaxon Polar Surface Area 167.71 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 100.99 m3·mol-1 Chemaxon Polarizability 42.37 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