ChemSpider 2D Image | N-[2-(4-Amino-3-iodophenyl)ethyl]-9-(alpha-D-ribofuranosyl)-9H-purin-6-amine | C18H21IN6O4

N-[2-(4-Amino-3-iodophenyl)ethyl]-9-(α-D-ribofuranosyl)-9H-purin-6-amine

  • Molecular FormulaC18H21IN6O4
  • Average mass512.302 Da
  • Monoisotopic mass512.066895 Da
  • ChemSpider ID114398

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

9H-Purin-6-amine, N-[2-(4-amino-3-iodophenyl)ethyl]-9-α-D-ribofuranosyl- [ACD/Index Name]
N-[2-(4-Amino-3-iodophenyl)ethyl]-9-(α-D-ribofuranosyl)-9H-purin-6-amine [ACD/IUPAC Name]
N-[2-(4-Amino-3-iodophényl)éthyl]-9-(α-D-ribofuranosyl)-9H-purin-6-amine [French] [ACD/IUPAC Name]
N-[2-(4-Amino-3-iodphenyl)ethyl]-9-(α-D-ribofuranosyl)-9H-purin-6-amin [German] [ACD/IUPAC Name]
105834-00-2 [RN]
Adenosine, N-(2-(4-amino-3-iodophenyl)ethyl)-
N(6)-2-(4-Amino-3-iodophenyl)ethyladenosine
Nampea

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

Density: 2.0±0.1 g/cm3
Boiling Point: 811.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.7±3.0 kJ/mol
Flash Point: 444.6±37.1 °C
Index of Refraction: 1.830
Molar Refractivity: 110.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 1.68
ACD/LogD (pH 5.5): 1.34
ACD/BCF (pH 5.5): 6.12
ACD/KOC (pH 5.5): 126.81
ACD/LogD (pH 7.4): 1.34
ACD/BCF (pH 7.4): 6.19
ACD/KOC (pH 7.4): 128.33
Polar Surface Area: 152 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 80.1±7.0 dyne/cm
Molar Volume: 250.5±7.0 cm3

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