ChemSpider 2D Image | 2-Ethylbutyl (2S)-2-{[(S)-{[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-4-hydroxy-2-(hydroxymethyl)tetrahydro-3-furanyl]oxy}(phenoxy)phosphoryl]amino}propanoate (non-preferred n ame) | C27H35N6O8P

2-Ethylbutyl (2S)-2-{[(S)-{[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-4-hydroxy-2-(hydroxymethyl)tetrahydro-3-furanyl]oxy}(phenoxy)phosphoryl]amino}propanoate (non-preferred n ame)

  • Molecular FormulaC27H35N6O8P
  • Average mass602.576 Da
  • Monoisotopic mass602.225403 Da
  • ChemSpider ID107449791

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2S)-2-{[(S)-{[(2R,3S,4R,5R)-5-(4-Aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-4-hydroxy-2-(hydroxyméthyl)tétrahydro-3-furanyl]oxy}(phénoxy)phosphoryl]amino}propanoate de 2-éthylbutyle (non-preferr ed name) [French] [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-cyano-4-hydroxy-2-(hydroxymethyl)tetrahydro-3-furanyl]oxy}(phenoxy)phosphoryl]amino}propanoate (non-preferred n ame) [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-4-hydroxy-2-(hydroxymethyl)tetrahydro-3-furanyl]oxy}(phenoxy)phosphoryl]amino}propanoat (non-preferred nam e) [German] [ACD/IUPAC Name]

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: 1.72
ACD/LogD (pH 5.5): 0.99
ACD/BCF (pH 5.5): 3.28
ACD/KOC (pH 5.5): 80.61
ACD/LogD (pH 7.4): 1.00
ACD/BCF (pH 7.4): 3.40
ACD/KOC (pH 7.4): 83.49
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

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