ChemSpider 2D Image | N-(5-Nitro-2-pyrimidinyl)aspartic acid | C8H8N4O6

N-(5-Nitro-2-pyrimidinyl)aspartic acid

  • Molecular FormulaC8H8N4O6
  • Average mass256.172 Da
  • Monoisotopic mass256.044373 Da
  • ChemSpider ID37052086

More details:

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

Acide N-(5-nitro-2-pyrimidinyl)aspartique [French] [ACD/IUPAC Name]
Aspartic acid, N-(5-nitro-2-pyrimidinyl)- [ACD/Index Name]
N-(5-Nitro-2-pyrimidinyl)asparaginsäure [German] [ACD/IUPAC Name]
N-(5-Nitro-2-pyrimidinyl)aspartic acid [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 513.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.6±3.0 kJ/mol
Flash Point: 264.2±32.9 °C
Index of Refraction: 1.684
Molar Refractivity: 55.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -0.06
ACD/LogD (pH 5.5): -2.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 158 Å2
Polarizability: 22.0±0.5 10-24cm3
Surface Tension: 106.7±3.0 dyne/cm
Molar Volume: 146.3±3.0 cm3

Click to predict properties on the Chemicalize site


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