ChemSpider 2D Image | [5-(3,4-Dimethoxyphenyl)-1,2-oxazol-3-yl]methyl (1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate | C21H21N5O7

[5-(3,4-Dimethoxyphenyl)-1,2-oxazol-3-yl]methyl (1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate

  • Molecular FormulaC21H21N5O7
  • Average mass455.421 Da
  • Monoisotopic mass455.144104 Da
  • ChemSpider ID39228834

More details:

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

(1,3-Diméthyl-2,6-dioxo-1,2,3,6-tétrahydro-7H-purin-7-yl)acétate de [5-(3,4-diméthoxyphényl)-1,2-oxazol-3-yl]méthyle [French] [ACD/IUPAC Name]
[5-(3,4-Dimethoxyphenyl)-1,2-oxazol-3-yl]methyl (1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate [ACD/IUPAC Name]
[5-(3,4-Dimethoxyphenyl)-1,2-oxazol-3-yl]methyl-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetat [German] [ACD/IUPAC Name]
7H-Purine-7-acetic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-, [5-(3,4-dimethoxyphenyl)-3-isoxazolyl]methyl ester [ACD/Index Name]
(5-(3,4-dimethoxyphenyl)isoxazol-3-yl)methyl 2-(1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetate

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

Density: 1.5±0.1 g/cm3
Boiling Point: 690.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.1±3.0 kJ/mol
Flash Point: 371.1±34.3 °C
Index of Refraction: 1.654
Molar Refractivity: 114.5±0.5 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.52
ACD/LogD (pH 5.5): 1.55
ACD/BCF (pH 5.5): 8.91
ACD/KOC (pH 5.5): 166.52
ACD/LogD (pH 7.4): 1.55
ACD/BCF (pH 7.4): 8.91
ACD/KOC (pH 7.4): 166.52
Polar Surface Area: 129 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 55.2±7.0 dyne/cm
Molar Volume: 312.4±7.0 cm3

Click to predict properties on the Chemicalize site


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