ChemSpider 2D Image | [5-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl 3,4,5-trihydroxy-6-methyl-3,4-dihydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name) | C16H23N5O15P2

[5-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl 3,4,5-trihydroxy-6-methyl-3,4-dihydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)

  • Molecular FormulaC16H23N5O15P2
  • Average mass587.326 Da
  • Monoisotopic mass587.066589 Da
  • ChemSpider ID95640786

More details:

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

[5-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl 3,4,5-trihydroxy-6-methyl-3,4-dihydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name) [ACD/IUPAC Name]
[5-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl-3,4,5-trihydroxy-6-methyl-3,4-dihydro-2H-pyran-2-yldihydrogendiphosphat (non-preferred name) [German] [ACD/IUPAC Name]
Dihydrogénodiphosphate de [5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyl]méthyle et de 3,4,5-trihydroxy-6-méthyl-3,4-dihydro-2H-pyran-2-yle (non-preferred name) [French] [ACD/IUPAC Name]

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

Density: 2.4±0.1 g/cm3
Boiling Point: 1012.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 154.9±3.0 kJ/mol
Flash Point: 566.3±37.1 °C
Index of Refraction: 1.869
Molar Refractivity: 110.1±0.5 cm3
#H bond acceptors: 20
#H bond donors: 10
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -2.36
ACD/LogD (pH 5.5): -8.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 327 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 146.0±7.0 dyne/cm
Molar Volume: 242.5±7.0 cm3

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