ChemSpider 2D Image | remdesivir | C27H35N6O8P

remdesivir

  • Molecular FormulaC27H35N6O8P
  • Average mass602.576 Da
  • Monoisotopic mass602.225403 Da
  • ChemSpider ID58827832

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

remdesivir [INN] [Wiki]
(2S)-2-{[(S)-{[(2R,3S,4R,5R)-5-(4-Aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxytétrahydro-2-furanyl]méthoxy}(phénoxy)phosphoryl]amino}propanoate de 2-éthylbutyle (non-preferred name) [French] [ACD/IUPAC Name]
1809249-37-3 [RN]
2-Ethylbutyl (2S)-2-{[(S)-{[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(phenoxy)phosphoryl]amino}propanoate (non-preferred name) [ACD/IUPAC Name]
2-Ethylbutyl-(2S)-2-{[(S)-{[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyan-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(phenoxy)phosphoryl]amino}propanoat (non-preferred name) [German] [ACD/IUPAC Name]
GS-5734
L-Alanine, N-[(S)-hydroxyphenoxyphosphinyl]-, 2-ethylbutyl ester, 6-ester with 2-C-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,5-anhydro-D-altrononitrile
remdesivir [Spanish] [INN]
remdésivir [French] [INN]
remdesivirum [Latin] [INN]
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  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Chemical Class:

      A carboxylic ester resulting from the formal condensation of the carboxy group of N-[(S)-{[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxytetrahydrofuran-2-yl]methoxy} (phenoxy)phosphoryl]-L-alanine with the hydroxy group of 2-ethylbutan-1-ol. A broad-spectrum antiviral prodrug with potent in vitro antiviral activity against a diverse panel of RNA viruses such as Eb ola virus, MERS-CoV and SARS-CoV. It is currently in Phase III clinical trials for the treatment of Covid-19 in adults. ChEBI CHEBI:145994

    • Bio Activity:

      <p>Adenosine triphosphate analog with broad-spectrum antiviral activity which metabolizes into its active form GS-441524.</p> <p>Inhibits MERS-CoV or SARS-CoV-infected HAE cultures (EC<sub>50</sub>=74nM and 69nM) and murine hepatitis virus (MHV) (EC<sub>50</sub>=30nM).</p> Hello Bio HB9521

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.652
Molar Refractivity: 149.5±0.5 cm3
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 2.10
ACD/LogD (pH 5.5): 1.08
ACD/BCF (pH 5.5): 3.85
ACD/KOC (pH 5.5): 90.54
ACD/LogD (pH 7.4): 1.09
ACD/BCF (pH 7.4): 3.98
ACD/KOC (pH 7.4): 93.54
Polar Surface Area: 213 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 62.3±7.0 dyne/cm
Molar Volume: 409.0±7.0 cm3

Click to predict properties on the Chemicalize site


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