ChemSpider 2D Image | N-[(2-Imino-1,3-dimethyl-4,6-dioxotetrahydro-5(2H)-pyrimidinylidene)methyl]glutamic acid | C12H16N4O6

N-[(2-Imino-1,3-dimethyl-4,6-dioxotetrahydro-5(2H)-pyrimidinylidene)methyl]glutamic acid

  • Molecular FormulaC12H16N4O6
  • Average mass312.279 Da
  • Monoisotopic mass312.106995 Da
  • ChemSpider ID35364180

More details:

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

Acide N-[(2-imino-1,3-diméthyl-4,6-dioxotétrahydro-5(2H)-pyrimidinylidène)méthyl]glutamique [French] [ACD/IUPAC Name]
Glutamic acid, N-[(tetrahydro-2-imino-1,3-dimethyl-4,6-dioxo-5(2H)-pyrimidinylidene)methyl]- [ACD/Index Name]
N-[(2-Imino-1,3-dimethyl-4,6-dioxotetrahydro-5(2H)-pyrimidinyliden)methyl]glutaminsäure [German] [ACD/IUPAC Name]
N-[(2-Imino-1,3-dimethyl-4,6-dioxotetrahydro-5(2H)-pyrimidinylidene)methyl]glutamic acid [ACD/IUPAC Name]
2-[(2-Imino-1,3-dimethyl-4,6-dioxo-tetrahydro-pyrimidin-5-ylidenemethyl)-amino]-pentanedioic acid
2-{[(2-imino-1,3-dimethyl-4,6-dioxo-1,3-diazinan-5-ylidene)methyl]amino}pentanedioic acid

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

Density: 1.5±0.1 g/cm3
Boiling Point: 486.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 82.3±6.0 kJ/mol
Flash Point: 247.7±31.5 °C
Index of Refraction: 1.640
Molar Refractivity: 72.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -2.45
ACD/LogD (pH 5.5): -4.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 151 Å2
Polarizability: 28.9±0.5 10-24cm3
Surface Tension: 66.1±7.0 dyne/cm
Molar Volume: 202.4±7.0 cm3

Click to predict properties on the Chemicalize site


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