ChemSpider 2D Image | 7-(2-{3-[(2,4-Dioxo-1,3-oxazolidin-3-yl)methyl]-1-azetidinyl}-2-oxoethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione | C16H18N6O6

7-(2-{3-[(2,4-Dioxo-1,3-oxazolidin-3-yl)methyl]-1-azetidinyl}-2-oxoethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

  • Molecular FormulaC16H18N6O6
  • Average mass390.351 Da
  • Monoisotopic mass390.128784 Da
  • ChemSpider ID58375025

More details:

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

1H-Purine-2,6-dione, 7-[2-[3-[(2,4-dioxo-3-oxazolidinyl)methyl]-1-azetidinyl]-2-oxoethyl]-3,7-dihydro-1,3-dimethyl- [ACD/Index Name]
7-(2-{3-[(2,4-Dioxo-1,3-oxazolidin-3-yl)methyl]-1-azetidinyl}-2-oxoethyl)-1,3-dimethyl-3,7-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
7-(2-{3-[(2,4-Dioxo-1,3-oxazolidin-3-yl)methyl]-1-azetidinyl}-2-oxoethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
7-(2-{3-[(2,4-Dioxo-1,3-oxazolidin-3-yl)méthyl]-1-azétidinyl}-2-oxoéthyl)-1,3-diméthyl-3,7-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]
3-((1-(2-(1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetyl)azetidin-3-yl)methyl)oxazolidine-2,4-dione

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

Density: 1.7±0.1 g/cm3
Boiling Point: 670.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.5±3.0 kJ/mol
Flash Point: 359.1±34.3 °C
Index of Refraction: 1.774
Molar Refractivity: 94.2±0.5 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -1.53
ACD/LogD (pH 5.5): -0.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.72
ACD/LogD (pH 7.4): -0.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.72
Polar Surface Area: 125 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 80.2±7.0 dyne/cm
Molar Volume: 225.8±7.0 cm3

Click to predict properties on the Chemicalize site


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