ChemSpider 2D Image | 9-(beta-D-Lyxofuranosyl)-N-[3-(~2~H_3_)methyl(4,4,4-~2~H_3_)-2-buten-1-yl]-9H-purin-6-amine | C15H15D6N5O4

9-(β-D-Lyxofuranosyl)-N-[3-(2H3)methyl(4,4,4-2H3)-2-buten-1-yl]-9H-purin-6-amine

  • Molecular FormulaC15H15D6N5O4
  • Average mass341.395 Da
  • Monoisotopic mass341.197021 Da
  • ChemSpider ID107445306

  • defined stereocentres - 4 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

9-(β-D-Lyxofuranosyl)-N-[3-(2H3)methyl(4,4,4-2H3)-2-buten-1-yl]-9H-purin-6-amin [German] [ACD/IUPAC Name]
9-(β-D-Lyxofuranosyl)-N-[3-(2H3)methyl(4,4,4-2H3)-2-buten-1-yl]-9H-purin-6-amine [ACD/IUPAC Name]
9-(β-D-Lyxofuranosyl)-N-[3-(2H3)méthyl(4,4,4-2H3)-2-butén-1-yl]-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-β-D-lyxofuranosyl-N-[3-(methyl-d3)-2-buten-1-yl-4,4,4-d3]- [ACD/Index Name]
175733-29-6 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 647.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.3±3.0 kJ/mol
Flash Point: 345.2±34.3 °C
Index of Refraction: 1.708
Molar Refractivity: 83.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.31
ACD/LogD (pH 5.5): 1.14
ACD/BCF (pH 5.5): 4.31
ACD/KOC (pH 5.5): 98.76
ACD/LogD (pH 7.4): 1.14
ACD/BCF (pH 7.4): 4.36
ACD/KOC (pH 7.4): 99.91
Polar Surface Area: 126 Å2
Polarizability: 33.2±0.5 10-24cm3
Surface Tension: 62.3±7.0 dyne/cm
Molar Volume: 214.8±7.0 cm3

Click to predict properties on the Chemicalize site


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