ChemSpider 2D Image | (2E)-3-Hydroxy-2-{[(E)-2-hydroxy-1-(6-oxo-3,6-dihydro-9H-purin-9-yl)vinyl]oxy}-2-propen-1-yl dihydrogen phosphate | C10H11N4O8P

(2E)-3-Hydroxy-2-{[(E)-2-hydroxy-1-(6-oxo-3,6-dihydro-9H-purin-9-yl)vinyl]oxy}-2-propen-1-yl dihydrogen phosphate

  • Molecular FormulaC10H11N4O8P
  • Average mass346.190 Da
  • Monoisotopic mass346.031464 Da
  • ChemSpider ID95652150

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-Hydroxy-2-{[(E)-2-hydroxy-1-(6-oxo-3,6-dihydro-9H-purin-9-yl)vinyl]oxy}-2-propen-1-yl dihydrogen phosphate [ACD/IUPAC Name]
(2E)-3-Hydroxy-2-{[(E)-2-hydroxy-1-(6-oxo-3,6-dihydro-9H-purin-9-yl)vinyl]oxy}-2-propen-1-yldihydrogenphosphat [German] [ACD/IUPAC Name]
6H-Purin-6-one, 3,9-dihydro-9-[(E)-2-hydroxy-1-[[(E)-2-hydroxy-1-[(phosphonooxy)methyl]ethenyl]oxy]ethenyl]- [ACD/Index Name]
Dihydrogénophosphate de (2E)-3-hydroxy-2-{[(E)-2-hydroxy-1-(6-oxo-3,6-dihydro-9H-purin-9-yl)vinyl]oxy}-2-propén-1-yle [French] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 733.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.4±3.0 kJ/mol
Flash Point: 397.6±35.7 °C
Index of Refraction: 1.731
Molar Refractivity: 71.4±0.5 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -1.49
ACD/LogD (pH 5.5): -5.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 186 Å2
Polarizability: 28.3±0.5 10-24cm3
Surface Tension: 102.8±7.0 dyne/cm
Molar Volume: 178.7±7.0 cm3

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