ChemSpider 2D Image | 4-(6-Amino-9H-purin-9-yl)but-2-en-1-ol | C9H11N5O

4-(6-Amino-9H-purin-9-yl)but-2-en-1-ol

  • Molecular FormulaC9H11N5O
  • Average mass205.217 Da
  • Monoisotopic mass205.096359 Da
  • ChemSpider ID23349075

More details:

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

2-buten-1-ol, 4-(6-amino-9H-purin-9-yl)-
4-(6-Amino-9H-purin-9-yl)but-2-en-1-ol
104715-57-3 [RN]
4-(6-Aminopurin-9-yl)but-2-en-1-ol
9-(4-hydroxy-2-buten-1-yl)adenine

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

Density: 1.5±0.1 g/cm3
Boiling Point: 487.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.4±3.0 kJ/mol
Flash Point: 248.6±31.5 °C
Index of Refraction: 1.715
Molar Refractivity: 54.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.62
ACD/LogD (pH 5.5): 0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 23.12
ACD/LogD (pH 7.4): 0.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 25.30
Polar Surface Area: 90 Å2
Polarizability: 21.7±0.5 10-24cm3
Surface Tension: 66.6±7.0 dyne/cm
Molar Volume: 139.5±7.0 cm3

Click to predict properties on the Chemicalize site


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