ChemSpider 2D Image | 2-(1-Hexyn-1-yl)adenosine 5'-(tetrahydrogen triphosphate) | C16H24N5O13P3

2-(1-Hexyn-1-yl)adenosine 5'-(tetrahydrogen triphosphate)

  • Molecular FormulaC16H24N5O13P3
  • Average mass587.309 Da
  • Monoisotopic mass587.058350 Da
  • ChemSpider ID9642774

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2-(1-Hexin-1-yl)adenosin5'-(tetrahydrogentriphosphat) [German] [ACD/IUPAC Name]
2-(1-Hexyn-1-yl)adenosine 5'-(tetrahydrogen triphosphate) [ACD/IUPAC Name]
2-(1-Hexyn-1-yl)adénosine-5'-(tétrahydrogène triphosphate) [French] [ACD/IUPAC Name]
Adenosine, 2-(1-hexyn-1-yl)-, 5'-(tetrahydrogen triphosphate) [ACD/Index Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 967.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 147.6±3.0 kJ/mol
Flash Point: 538.6±37.1 °C
Index of Refraction: 1.750
Molar Refractivity: 117.3±0.5 cm3
#H bond acceptors: 18
#H bond donors: 8
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -2.72
ACD/LogD (pH 5.5): -9.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 309 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 116.4±7.0 dyne/cm
Molar Volume: 287.8±7.0 cm3

Click to predict properties on the Chemicalize site


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