ChemSpider 2D Image | N~2~-(2-Cyclohexylethyl)-9-(D-ribofuranosyl)-9H-purine-2,6-diamine | C18H28N6O4

N2-(2-Cyclohexylethyl)-9-(D-ribofuranosyl)-9H-purine-2,6-diamine

  • Molecular FormulaC18H28N6O4
  • Average mass392.453 Da
  • Monoisotopic mass392.217194 Da
  • ChemSpider ID23175844

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

9H-Purine-2,6-diamine, N2-(2-cyclohexylethyl)-9-D-ribofuranosyl- [ACD/Index Name]
N2-(2-Cyclohexylethyl)-9-(D-ribofuranosyl)-9H-purin-2,6-diamin [German] [ACD/IUPAC Name]
N2-(2-Cyclohexylethyl)-9-(D-ribofuranosyl)-9H-purine-2,6-diamine [ACD/IUPAC Name]
N2-(2-Cyclohexyléthyl)-9-(D-ribofuranosyl)-9H-purine-2,6-diamine [French] [ACD/IUPAC Name]
(3R,4S,5R)-2-{6-amino-2-[(2-cyclohexylethyl)amino]-9H-purin-9-yl}-5-(hydroxymethyl)oxolane-3,4-diol
2-[6-Amino-2-(2-cyclohexyl-ethylamino)-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol

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

CGS-22492 [DBID]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 733.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.3±3.0 kJ/mol
Flash Point: 397.3±35.7 °C
Index of Refraction: 1.776
Molar Refractivity: 97.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 0.93
ACD/LogD (pH 5.5): 1.19
ACD/BCF (pH 5.5): 4.47
ACD/KOC (pH 5.5): 94.81
ACD/LogD (pH 7.4): 1.29
ACD/BCF (pH 7.4): 5.67
ACD/KOC (pH 7.4): 120.40
Polar Surface Area: 152 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 75.5±7.0 dyne/cm
Molar Volume: 232.9±7.0 cm3

Click to predict properties on the Chemicalize site


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