ChemSpider 2D Image | [(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] [(2R,3S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate | C18H25N9O13P2

[(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] [(2R,3S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate

  • Molecular FormulaC18H25N9O13P2
  • Average mass637.391 Da
  • Monoisotopic mass637.104675 Da
  • ChemSpider ID111068

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

91796-04-2 [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: 1047.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 160.5±3.0 kJ/mol
Flash Point: 587.1±37.1 °C
Index of Refraction: 1.920
Molar Refractivity: 127.2±0.5 cm3
#H bond acceptors: 22
#H bond donors: 9
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -5.01
ACD/LogD (pH 5.5): -9.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 337 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 150.1±7.0 dyne/cm
Molar Volume: 269.2±7.0 cm3

Click to predict properties on the Chemicalize site


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