ChemSpider 2D Image | 2-{[2-(4-Amino-3-iodophenyl)ethyl]amino}adenosine | C18H22IN7O4

2-{[2-(4-Amino-3-iodophenyl)ethyl]amino}adenosine

  • Molecular FormulaC18H22IN7O4
  • Average mass527.316 Da
  • Monoisotopic mass527.077759 Da
  • ChemSpider ID165843

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2-{[2-(4-Amino-3-iodophenyl)ethyl]amino}adenosine [ACD/IUPAC Name]
2-{[2-(4-Amino-3-iodophényl)éthyl]amino}adénosine [French] [ACD/IUPAC Name]
2-{[2-(4-Amino-3-iodphenyl)ethyl]amino}adenosin [German] [ACD/IUPAC Name]
Adenosine, 2-[[2-(4-amino-3-iodophenyl)ethyl]amino]- [ACD/Index Name]
(2R,3R,4S,5R)-2-(6-Amino-2-((4-amino-3-iodophenethyl)amino)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
161536-31-8 [RN]
2-(2-(4-Amino-3-(125I)iodophenyl)ethylamino)adenosine
2-(2-(4-amino-3-iodophenyl)ethylamino)adenosine
I-APE

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

Density: 2.1±0.1 g/cm3
Boiling Point: 856.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.5±3.0 kJ/mol
Flash Point: 472.0±37.1 °C
Index of Refraction: 1.866
Molar Refractivity: 111.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 0.08
ACD/LogD (pH 5.5): 0.77
ACD/BCF (pH 5.5): 2.15
ACD/KOC (pH 5.5): 56.92
ACD/LogD (pH 7.4): 0.85
ACD/BCF (pH 7.4): 2.62
ACD/KOC (pH 7.4): 69.15
Polar Surface Area: 178 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 87.7±7.0 dyne/cm
Molar Volume: 247.2±7.0 cm3

Click to predict properties on the Chemicalize site


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