Metabolite Remdesivir Nucleoside Monophosphate
- Name
- Remdesivir Nucleoside Monophosphate
- Description
- Not Available
- Structure
Structure for Remdesivir Nucleoside Monophosphate
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 369.231
Monoisotopic: 369.048531904 - Chemical Formula
- C12H12N5O7P
- InChI Key
- ZBHOHJWLOOFLMW-LTGWCKQJSA-L
- InChI
- InChI=1S/C12H14N5O7P/c13-4-12(8-2-1-6-11(14)15-5-16-17(6)8)10(19)9(18)7(24-12)3-23-25(20,21)22/h1-2,5,7,9-10,18-19H,3H2,(H2,14,15,16)(H2,20,21,22)/p-2/t7-,9-,10-,12+/m1/s1
- IUPAC Name
- [(2R,3S,4R,5R)-5-{4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl}-5-cyano-3,4-dihydroxyoxolan-2-yl]methyl phosphate
- SMILES
- NC1=NC=NN2C1=CC=C2[C@@]1(O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]1O)C#N
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 162.10976 predictedDeepCCS 1.0 (2019) [M+H]+ 164.54204 predictedDeepCCS 1.0 (2019) [M+Na]+ 171.85869 predictedDeepCCS 1.0 (2019) - External Links
- Not Available
- Predicted Properties
Property Value Source Water Solubility 25.1 mg/mL ALOGPS logP -0.68 ALOGPS logP -2.4 Chemaxon logS -1.2 ALOGPS pKa (Strongest Acidic) 1.33 Chemaxon pKa (Strongest Basic) 0.55 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 10 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 202.11 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 90.58 m3·mol-1 Chemaxon Polarizability 31.5 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