ChemSpider 2D Image | 4-{[(4-Methylphenyl)(phenylsulfonyl)amino]methyl}-1-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)-1H-1,2,3-triazole | C27H30N4O9S

4-{[(4-Methylphenyl)(phenylsulfonyl)amino]methyl}-1-(2,3,5-tri-O-acetyl-β-D-ribofuranosyl)-1H-1,2,3-triazole

  • Molecular FormulaC27H30N4O9S
  • Average mass586.614 Da
  • Monoisotopic mass586.173340 Da
  • ChemSpider ID76799335

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1H-1,2,3-Triazole, 4-[[(4-methylphenyl)(phenylsulfonyl)amino]methyl]-1-(2,3,5-tri-O-acetyl-β-D-ribofuranosyl)- [ACD/Index Name]
4-{[(4-Methylphenyl)(phenylsulfonyl)amino]methyl}-1-(2,3,5-tri-O-acetyl-β-D-ribofuranosyl)-1H-1,2,3-triazol [German] [ACD/IUPAC Name]
4-{[(4-Methylphenyl)(phenylsulfonyl)amino]methyl}-1-(2,3,5-tri-O-acetyl-β-D-ribofuranosyl)-1H-1,2,3-triazole [ACD/IUPAC Name]
4-{[(4-Méthylphényl)(phénylsulfonyl)amino]méthyl}-1-(2,3,5-tri-O-acétyl-β-D-ribofuranosyl)-1H-1,2,3-triazole [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 735.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.3±3.0 kJ/mol
Flash Point: 398.6±35.7 °C
Index of Refraction: 1.626
Molar Refractivity: 147.9±0.5 cm3
#H bond acceptors: 13
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 2.22
ACD/LogD (pH 5.5): 2.39
ACD/BCF (pH 5.5): 38.35
ACD/KOC (pH 5.5): 473.46
ACD/LogD (pH 7.4): 2.39
ACD/BCF (pH 7.4): 38.35
ACD/KOC (pH 7.4): 473.46
Polar Surface Area: 165 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 53.5±7.0 dyne/cm
Molar Volume: 418.0±7.0 cm3

Click to predict properties on the Chemicalize site


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