Metabolite Remdesivir Nucleoside Triphosphate

Name
Remdesivir Nucleoside Triphosphate
Description
Not Available
Structure
Thumb
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
Not Available
Predicted Properties
PropertyValueSource
Water Solubility1.55 mg/mLALOGPS
logP-0.53ALOGPS
logS-2.6ALOGPS
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area288.85 Å2ChemAxon
Rotatable Bond Count8ChemAxon
Refractivity110.08 m3·mol-1ChemAxon
Polarizability39.58 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon