Metabolite Daprodustat M13 metabolite
- Name
- Daprodustat M13 metabolite
- Description
- Not Available
- Structure
Structure for Daprodustat M13 metabolite
- Synonyms
- Not Available
- External IDs
- GSK2531401
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 443.453
Monoisotopic: 443.190379526 - Chemical Formula
- C19H29N3O9
- InChI Key
- HPHZAXSCLHGVIH-OCAPRPFGSA-N
- InChI
- InChI=1S/C19H29N3O9/c23-11-4-1-9(2-5-11)21-17(29)15(16(28)20-8-14(26)27)18(30)22(19(21)31)10-3-6-12(24)13(25)7-10/h9-13,15,17,23-25,29H,1-8H2,(H,20,28)(H,26,27)/t9-,10?,11-,12-,13+,15?,17?/m0/s1
- IUPAC Name
- 2-({1-[(3R,4S)-3,4-dihydroxycyclohexyl]-4-hydroxy-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(C2CC[C@H](O)[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 106.0 mg/mL ALOGPS logP -1.7 ALOGPS logP -2.8 Chemaxon logS -0.62 ALOGPS pKa (Strongest Acidic) 3.48 Chemaxon pKa (Strongest Basic) -2.7 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 9 Chemaxon Hydrogen Donor Count 6 Chemaxon Polar Surface Area 187.94 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 102.35 m3·mol-1 Chemaxon Polarizability 43.27 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon