ChemSpider 2D Image | Methyl [1,3-dimethyl-8-(4-morpholinyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]acetate | C14H19N5O5

Methyl [1,3-dimethyl-8-(4-morpholinyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]acetate

  • Molecular FormulaC14H19N5O5
  • Average mass337.331 Da
  • Monoisotopic mass337.138611 Da
  • ChemSpider ID58543719

More details:

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

[1,3-Diméthyl-8-(4-morpholinyl)-2,6-dioxo-1,2,3,6-tétrahydro-7H-purin-7-yl]acétate de méthyle [French] [ACD/IUPAC Name]
7H-Purine-7-acetic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-8-(4-morpholinyl)-2,6-dioxo-, methyl ester [ACD/Index Name]
Methyl [1,3-dimethyl-8-(4-morpholinyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]acetate [ACD/IUPAC Name]
Methyl-[1,3-dimethyl-8-(4-morpholinyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]acetat [German] [ACD/IUPAC Name]
methyl 2-(1,3-dimethyl-8-morpholino-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: 548.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.8±3.0 kJ/mol
Flash Point: 285.3±32.9 °C
Index of Refraction: 1.669
Molar Refractivity: 83.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -0.58
ACD/LogD (pH 5.5): 0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 33.01
ACD/LogD (pH 7.4): 0.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 33.01
Polar Surface Area: 97 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 60.1±7.0 dyne/cm
Molar Volume: 222.6±7.0 cm3

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