ChemSpider 2D Image | [5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-tetrahydrofuran-2-yl]methyl [hydroxy-(2,3,4-trihydroxy-5-oxo-pentoxy)phosphoryl] hydrogen phosphate | C15H24N5O17P3

[5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-tetrahydrofuran-2-yl]methyl [hydroxy-(2,3,4-trihydroxy-5-oxo-pentoxy)phosphoryl] hydrogen phosphate

  • Molecular FormulaC15H24N5O17P3
  • Average mass639.296 Da
  • Monoisotopic mass639.038025 Da
  • ChemSpider ID4223038

More details:

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

[[5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (2,3,4-trihydroxy-5-oxopentyl) hydrogen phosphate
53595-18-9 [RN]

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

Density: 2.4±0.1 g/cm3
Boiling Point: 1071.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 164.5±3.0 kJ/mol
Flash Point: 601.8±37.1 °C
Index of Refraction: 1.810
Molar Refractivity: 116.8±0.5 cm3
#H bond acceptors: 22
#H bond donors: 10
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -4.72
ACD/LogD (pH 5.5): -11.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 375 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 151.9±7.0 dyne/cm
Molar Volume: 270.7±7.0 cm3

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