ChemSpider 2D Image | Bis(2-methyl-2-propanyl) 2,2'-(5-nitro-2,4-dioxo-1,3(2H,4H)-pyrimidinediyl)diacetate | C16H23N3O8

Bis(2-methyl-2-propanyl) 2,2'-(5-nitro-2,4-dioxo-1,3(2H,4H)-pyrimidinediyl)diacetate

  • Molecular FormulaC16H23N3O8
  • Average mass385.369 Da
  • Monoisotopic mass385.148529 Da
  • ChemSpider ID114875736

More details:

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

1,3(2H,4H)-Pyrimidinediacetic acid, 5-nitro-2,4-dioxo-, bis(1,1-dimethylethyl) ester [ACD/Index Name]
2,2'-(5-Nitro-2,4-dioxo-1,3(2H,4H)-pyrimidinediyl)diacétate de bis(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
Bis(2-methyl-2-propanyl) 2,2'-(5-nitro-2,4-dioxo-1,3(2H,4H)-pyrimidinediyl)diacetate [ACD/IUPAC Name]
Bis(2-methyl-2-propanyl)-2,2'-(5-nitro-2,4-dioxo-1,3(2H,4H)-pyrimidindiyl)diacetat [German] [ACD/IUPAC Name]
1384070-49-8 [RN]
Di-tert-butyl 2,2'-(5-nitro-2,4-dioxopyrimidine-1,3(2H,4H)-diyl)diacetate
tert-butyl 2-{3-[2-(tert-butoxy)-2-oxoethyl]-5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-yl}acetate
tert-butyl 2-{3-[2-(tert-butoxy)-2-oxoethyl]-5-nitro-2,6-dioxopyrimidin-1-yl}acetate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 462.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.4±3.0 kJ/mol
Flash Point: 233.7±31.5 °C
Index of Refraction: 1.539
Molar Refractivity: 91.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.07
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 37.35
ACD/KOC (pH 5.5): 464.60
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 37.35
ACD/KOC (pH 7.4): 464.60
Polar Surface Area: 139 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 53.6±5.0 dyne/cm
Molar Volume: 292.2±5.0 cm3

Click to predict properties on the Chemicalize site


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