ChemSpider 2D Image | 2-[6-amino-8-(1-hydroxy-1-methyl-ethyl)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol | C13H19N5O5

2-[6-amino-8-(1-hydroxy-1-methyl-ethyl)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol

  • Molecular FormulaC13H19N5O5
  • Average mass325.320 Da
  • Monoisotopic mass325.138611 Da
  • ChemSpider ID28574401

More details:






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

27401-06-5 [RN]
8-(2-Hydroxy-2-propanyl)-9-pentofuranosyl-9H-purin-6-amine [ACD/IUPAC Name]
8-(2-hydroxypropan-2-yl)adenosine
9H-Purin-6-amine, 8-(1-hydroxy-1-methylethyl)-9-pentofuranosyl- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point: 705.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.4±3.0 kJ/mol
Flash Point: 380.4±32.9 °C
Index of Refraction: 1.786
Molar Refractivity: 74.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: -0.24
ACD/LogD (pH 5.5): -0.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.22
ACD/LogD (pH 7.4): -0.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.79
Polar Surface Area: 160 Å2
Polarizability: 29.7±0.5 10-24cm3
Surface Tension: 82.3±7.0 dyne/cm
Molar Volume: 177.3±7.0 cm3

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