ChemSpider 2D Image | 1,2-Bis[5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]ethyl trihydrogen diphosphate | C18H26N6O15P2

1,2-Bis[5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]ethyl trihydrogen diphosphate

  • Molecular FormulaC18H26N6O15P2
  • Average mass628.378 Da
  • Monoisotopic mass628.093140 Da
  • ChemSpider ID28563132

More details:

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

1,2-Bis[5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]ethyl trihydrogen diphosphate [ACD/IUPAC Name]
1,2-Bis[5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]ethyltrihydrogendiphosphat [German] [ACD/IUPAC Name]
Trihydrogénodiphosphate de 1,2-bis[5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-3,4-dihydroxytétrahydro-2-furanyl]éthyle [French] [ACD/IUPAC Name]
1,2-BIS[(2S,3S,4R,5R)-5-(4-AMINO-2-OXO-PYRIMIDIN-1-YL)-3,4-DIHYDROXY-TETRAHYDROFURAN-2-YL]ETHYL PHOSPHONO HYDROGEN PHOSPHATE
36331-57-4 [RN]

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

Density: 2.3±0.1 g/cm3
Boiling Point: 1015.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 168.0±6.0 kJ/mol
Flash Point: 568.1±37.1 °C
Index of Refraction: 1.866
Molar Refractivity: 121.8±0.5 cm3
#H bond acceptors: 21
#H bond donors: 11
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -5.95
ACD/LogD (pH 5.5): -10.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 350 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 146.4±7.0 dyne/cm
Molar Volume: 269.0±7.0 cm3

Click to predict properties on the Chemicalize site


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