ChemSpider 2D Image | 2-[1-(6-Amino-9H-purin-9-yl)-2-oxoethoxy]acrylaldehyde | C10H9N5O3

2-[1-(6-Amino-9H-purin-9-yl)-2-oxoethoxy]acrylaldehyde

  • Molecular FormulaC10H9N5O3
  • Average mass247.210 Da
  • Monoisotopic mass247.070541 Da
  • ChemSpider ID24682906

More details:

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

2-[1-(6-Amino-9H-purin-9-yl)-2-oxoethoxy]acrylaldehyd [German] [ACD/IUPAC Name]
2-[1-(6-Amino-9H-purin-9-yl)-2-oxoethoxy]acrylaldehyde [ACD/IUPAC Name]
2-[1-(6-Amino-9H-purin-9-yl)-2-oxoéthoxy]acrylaldéhyde [French] [ACD/IUPAC Name]
9H-Purine-9-acetaldehyde, 6-amino-α-[(1-formylethenyl)oxy]- [ACD/Index Name]
CHEMBL280595
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL280595/

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

Density: 1.6±0.1 g/cm3
Boiling Point: 515.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.7±3.0 kJ/mol
Flash Point: 265.4±32.9 °C
Index of Refraction: 1.703
Molar Refractivity: 61.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.70
ACD/LogD (pH 5.5): 0.32
ACD/BCF (pH 5.5): 1.02
ACD/KOC (pH 5.5): 35.22
ACD/LogD (pH 7.4): 0.32
ACD/BCF (pH 7.4): 1.03
ACD/KOC (pH 7.4): 35.54
Polar Surface Area: 113 Å2
Polarizability: 24.4±0.5 10-24cm3
Surface Tension: 67.5±7.0 dyne/cm
Molar Volume: 158.5±7.0 cm3

Click to predict properties on the Chemicalize site


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