ChemSpider 2D Image | [4-Amino-2-(~2~H_3_)methyl-5-pyrimidinyl](~2~H_2_)methyl trihydrogen diphosphate | C6H6D5N3O7P2

[4-Amino-2-(2H3)methyl-5-pyrimidinyl](2H2)methyl trihydrogen diphosphate

  • Molecular FormulaC6H6D5N3O7P2
  • Average mass304.146 Da
  • Monoisotopic mass304.038605 Da
  • ChemSpider ID107439399

  • Non-standard isotope - Non-standard isotope

More details:

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

[4-Amino-2-(2H3)methyl-5-pyrimidinyl](2H2)methyl trihydrogen diphosphate [ACD/IUPAC Name]
[4-Amino-2-(2H3)methyl-5-pyrimidinyl](2H2)methyltrihydrogendiphosphat [German] [ACD/IUPAC Name]
Diphosphoric acid, mono[[4-amino-2-(methyl-d3)-5-pyrimidinyl]methyl-d2] ester [ACD/Index Name]
Trihydrogénodiphosphate de [4-amino-2-(2H3)méthyl-5-pyrimidinyl](2H2)méthyle [French] [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: 599.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.8±3.0 kJ/mol
Flash Point: 316.2±32.9 °C
Index of Refraction: 1.627
Molar Refractivity: 58.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -3.35
ACD/LogD (pH 5.5): -7.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 185 Å2
Polarizability: 23.1±0.5 10-24cm3
Surface Tension: 108.0±3.0 dyne/cm
Molar Volume: 164.3±3.0 cm3

Click to predict properties on the Chemicalize site


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