Metabolite Remdesivir Nucleoside Triphosphate
- Name
- Remdesivir Nucleoside Triphosphate
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 527.172
Monoisotopic: 526.96554362 - Chemical Formula
- C12H12N5O13P3
- InChI Key
- QTTSLMIFZOHNCD-LTGWCKQJSA-M
- InChI
- InChI=1S/C12H13N5O13P3/c13-4-12(8-2-1-6-11(14)15-5-16-17(6)8)10(19)9(18)7(28-12)3-27-32(23,24)30-33(25,26)29-31(20,21)22/h1-2,5,7,9-10,18-19H,3H2,(H3-,14,15,16,20,21,22,23,24)/q-1/p-1/t7-,9-,10-,12+/m1/s1
- IUPAC Name
- (2R,3R,4S,5R)-2-{4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl}-3,4-dihydroxy-5-[({[(oxidophospho)oxy]phospho phosphonato}oxy)methyl]oxolane-2-carbonitrile
- SMILES
- NC1=NC=NN2C1=CC=C2[C@@]1(O[C@H](CO[P@@]([O-])(=O)O[P](=O)(=O)O[P]([O-])(=O)=O)[C@@H](O)[C@H]1O)C#N
- Reactions
- Remdesivir Remdesivir Alanine Metabolite (Ala-Met; GS-704277)
- Remdesivir Alanine Metabolite (Ala-Met; GS-704277) Remdesivir Nucleoside Monophosphate
- Remdesivir Nucleoside Monophosphate GS-441524
- Remdesivir Nucleoside Monophosphate Remdesivir Nucleoside Triphosphate
- Remdesivir Alanine Metabolite (Ala-Met; GS-704277) Remdesivir Nucleoside Monophosphate
- Remdesivir Remdesivir carboxylate
- Remdesivir carboxylate Remdesivir cyclic anhydride
- Remdesivir cyclic anhydride Remdesivir Alanine Metabolite (Ala-Met; GS-704277)
- Remdesivir Alanine Metabolite (Ala-Met; GS-704277) Remdesivir Nucleoside Monophosphate
- Remdesivir Nucleoside Monophosphate GS-441524
- Remdesivir Nucleoside Monophosphate Remdesivir Nucleoside Triphosphate
- Remdesivir Alanine Metabolite (Ala-Met; GS-704277) Remdesivir Nucleoside Monophosphate
- Remdesivir cyclic anhydride Remdesivir Alanine Metabolite (Ala-Met; GS-704277)
- Remdesivir carboxylate Remdesivir cyclic anhydride
- Remdesivir Remdesivir Alanine Metabolite (Ala-Met; GS-704277)
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 162.53452 predictedDeepCCS 1.0 (2019) [M+H]+ 164.35939 predictedDeepCCS 1.0 (2019) [M+Na]+ 170.0166 predictedDeepCCS 1.0 (2019) - External Links
- Not Available
- Predicted Properties
Property Value Source Water Solubility 1.55 mg/mL ALOGPS logP -0.53 ALOGPS logS -2.6 ALOGPS Hydrogen Acceptor Count 0 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 288.85 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 110.08 m3·mol-1 Chemaxon Polarizability 39.58 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon