ChemSpider 2D Image | radalbuvir | C30H41NO6S

radalbuvir

  • Molecular FormulaC30H41NO6S
  • Average mass543.715 Da
  • Monoisotopic mass543.265442 Da
  • ChemSpider ID31140180
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

1314795-11-3 [RN]
2-Thiophenecarboxylic acid, 5-(3,3-dimethyl-1-butyn-1-yl)-3-[[cis-4-hydroxy-4-[[[(3S)-tetrahydro-3-furanyl]oxy]methyl]cyclohexyl][[(1R)-4-methyl-3-cyclohexen-1-yl]carbonyl]amino]- [ACD/Index Name]
5-(3,3-Dimethyl-1-butin-1-yl)-3-[(cis-4-hydroxy-4-{[(3S)-tetrahydro-3-furanyloxy]methyl}cyclohexyl){[(1R)-4-methyl-3-cyclohexen-1-yl]carbonyl}amino]-2-thiophencarbonsäure [German] [ACD/IUPAC Name]
5-(3,3-Dimethyl-1-butyn-1-yl)-3-[(cis-4-hydroxy-4-{[(3S)-tetrahydro-3-furanyloxy]methyl}cyclohexyl){[(1R)-4-methyl-3-cyclohexen-1-yl]carbonyl}amino]-2-thiophenecarboxylic acid [ACD/IUPAC Name]
Acide 5-(3,3-diméthyl-1-butyn-1-yl)-3-[(cis-4-hydroxy-4-{[(3S)-tétrahydro-3-furanyloxy]méthyl}cyclohexyl){[(1R)-4-méthyl-3-cyclohexén-1-yl]carbonyl}amino]-2-thiophènecarboxylique [French] [ACD/IUPAC Name]
radalbuvir [INN] [Wiki]
radalbuvir [French] [INN]
radalbuvir [Spanish] [INN]
radalbuvirum [Latin] [INN]
UNII-273K4V0SPC
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 721.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.6±3.0 kJ/mol
Flash Point: 389.9±32.9 °C
Index of Refraction: 1.599
Molar Refractivity: 147.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.17
ACD/LogD (pH 5.5): 2.86
ACD/BCF (pH 5.5): 32.44
ACD/KOC (pH 5.5): 130.07
ACD/LogD (pH 7.4): 1.61
ACD/BCF (pH 7.4): 1.82
ACD/KOC (pH 7.4): 7.28
Polar Surface Area: 125 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 59.0±5.0 dyne/cm
Molar Volume: 431.9±5.0 cm3

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