ChemSpider 2D Image | [5-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yldihydrogen-diphosphat | C16H25N5O16P2

[5-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yldihydrogen-diphosphat

  • Molecular FormulaC16H25N5O16P2
  • Average mass605.341 Da
  • Monoisotopic mass605.077148 Da
  • ChemSpider ID712

More details:

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

[5-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl 3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate [ACD/IUPAC Name]
[5-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yldihydrogen-diphosphat
[5-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl 3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate [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-(hydroxymethyl)tetrahydro-2H-pyran-2-yldihydrogendiphosphat [German] [ACD/IUPAC Name]
Dihydrogène diphosphate de [5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyl]méthyle et de 3,4,5-trihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yle
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-(hydroxyméthyl)tétrahydro-2H-pyran-2-yle [French] [ACD/IUPAC Name]
[({[3,4-dihydroxy-5-(6-hydroxy-2-imino-3,9-dihydro-2H-purin-9-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})phosphinic acid
{[3,4-dihydroxy-5-(6-hydroxy-2-imino-3H-purin-9-yl)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy([3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy)phosphinic acid
18441-12-8 [RN]
3123-67-9 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 2.5±0.1 g/cm3
Boiling Point: 1062.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 163.1±3.0 kJ/mol
Flash Point: 596.6±37.1 °C
Index of Refraction: 1.891
Molar Refractivity: 111.2±0.5 cm3
#H bond acceptors: 21
#H bond donors: 11
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -3.35
ACD/LogD (pH 5.5): -8.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 347 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 160.3±7.0 dyne/cm
Molar Volume: 240.6±7.0 cm3

Click to predict properties on the Chemicalize site


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