ChemSpider 2D Image | 9-(5-S-Isobutyl-5-thio-alpha-L-lyxofuranosyl)-9H-purin-6-amine | C14H21N5O3S

9-(5-S-Isobutyl-5-thio-α-L-lyxofuranosyl)-9H-purin-6-amine

  • Molecular FormulaC14H21N5O3S
  • Average mass339.413 Da
  • Monoisotopic mass339.136505 Da
  • ChemSpider ID114391191

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

9-(5-S-Isobutyl-5-thio-α-L-lyxofuranosyl)-9H-purin-6-amin [German] [ACD/IUPAC Name]
9-(5-S-Isobutyl-5-thio-α-L-lyxofuranosyl)-9H-purin-6-amine [ACD/IUPAC Name]
9-(5-S-Isobutyl-5-thio-α-L-lyxofuranosyl)-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-[5-S-(2-methylpropyl)-5-thio-α-L-lyxofuranosyl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 631.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 98.1±3.0 kJ/mol
Flash Point: 335.5±34.3 °C
Index of Refraction: 1.753
Molar Refractivity: 85.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.08
ACD/LogD (pH 5.5): 1.05
ACD/BCF (pH 5.5): 3.68
ACD/KOC (pH 5.5): 87.60
ACD/LogD (pH 7.4): 1.07
ACD/BCF (pH 7.4): 3.81
ACD/KOC (pH 7.4): 90.73
Polar Surface Area: 145 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 67.4±7.0 dyne/cm
Molar Volume: 208.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement