ChemSpider 2D Image | Molnupiravir | C13H19N3O7

Molnupiravir

  • Molecular FormulaC13H19N3O7
  • Average mass329.306 Da
  • Monoisotopic mass329.122314 Da
  • ChemSpider ID84400552

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Molnupiravir
2349386-89-4 [RN]
3,4-Dihydrocytidine, N-hydroxy-, 5'-(2-methylpropanoate) [ACD/Index Name]
EIDD-2801
N-Hydroxy-5'-O-isobutyryl-3,4-dihydrocytidin [German] [ACD/IUPAC Name]
N-Hydroxy-5'-O-isobutyryl-3,4-dihydrocytidine [ACD/IUPAC Name]
N-Hydroxy-5'-O-isobutyryl-3,4-dihydrocytidine [French] [ACD/IUPAC Name]
((2R,3S,4R,5R)-3,4-Dihydroxy-5-(4-(hydroxyimino)-2-oxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methyl isobutyrate
[(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 2-methylpropanoate
{(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyimino)-2-oxo-3,4-dihydropyrimidin-1(2H)-yl]tetrahydrofuran-2-yl}methyl 2-methylpropanoate
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  • Miscellaneous

    • Chemical Class:

      A nucleoside analogue that is N(4)-hydroxycytidine in which the 5'-hydroxy group is replaced by a (2-methylpropanoyl)oxy group. It is the prodrug of the active antiviral ribonucleoside analog N(4)-hyd roxycytidine (EIDD-1931), has activity against a number of RNA viruses including SARS-CoV-2, MERS-CoV, and seasonal and pandemic influenza viruses. It is currently in phase III trials for the treatmen t of patients with COVID-19. ChEBI CHEBI:180653

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.651
Molar Refractivity: 74.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -0.17
ACD/LogD (pH 5.5): -0.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.09
ACD/LogD (pH 7.4): -1.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.92
Polar Surface Area: 141 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 63.3±7.0 dyne/cm
Molar Volume: 202.8±7.0 cm3

Click to predict properties on the Chemicalize site


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