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ChemSpider 2D Image | [(4-amino-2-methyl-pyrimidin-5-yl)methoxy-oxido-phosphoryl] phosphate | C6H8N3O7P2

[(4-amino-2-methyl-pyrimidin-5-yl)methoxy-oxido-phosphoryl] phosphate

  • Molecular FormulaC6H8N3O7P2
  • Average mass296.093 Da
  • Monoisotopic mass295.985382 Da
  • ChemSpider ID24785117
  • Charge - Charge

More details:

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Diphosphoric acid, mono[(4-amino-2-methyl-5-pyrimidinyl)methyl] ester, ion(3-) [ACD/Index Name]
(4-amino-2-methylpyrimidin-5-yl)methyl diphosphate
2-Methyl-4-amino-5-hydroxymethylpyrimidine diphosphate
4-amino-2-methyl-5-diphosphomethylpyrimidine*2-methyl-4-amino-5-hydroxymethylpyrimidine diphosphate*HMP-PP*4-amino-5-hydroxymethyl-2-methylpyrimidine-PP
4-amino-2-methyl-5-diphosphonatomethylpyrimidine trianion
4-amino-2-methyl-5-diphosphonatooxymethylpyrimidine trianion

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

7229943 [DBID]
  • Miscellaneous
    • Chemical Class:

      Trianion of 4-amino-2-methyl-5-diphosphooxymethylpyrimidine arising from deprotonation of the diphosphate OH groups; major species at pH 7.3. ChEBI CHEBI:57841

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

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:
Molar Refractivity:
#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: 193 Å2
Surface Tension:
Molar Volume:

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