ChemSpider 2D Image | 2-Amino-2'-deoxy-4'-ethynyladenosine 5'-(tetrahydrogen triphosphate) | C12H17N6O12P3

2-Amino-2'-deoxy-4'-ethynyladenosine 5'-(tetrahydrogen triphosphate)

  • Molecular FormulaC12H17N6O12P3
  • Average mass530.218 Da
  • Monoisotopic mass530.011719 Da
  • ChemSpider ID34559264

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-Amino-2'-deoxy-4'-ethynyladenosine 5'-(tetrahydrogen triphosphate) [ACD/IUPAC Name]
2-Amino-2'-desoxy-4'-ethinyladenosin5'-(tetrahydrogentriphosphat) [German] [ACD/IUPAC Name]
2-Amino-2'-désoxy-4'-éthynyladénosine-5'-(tétrahydrogène triphosphate) [French] [ACD/IUPAC Name]
Adenosine, 2-amino-2'-deoxy-4'-C-ethynyl-, 5'-(tetrahydrogen triphosphate) [ACD/Index Name]

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

Density: 2.3±0.1 g/cm3
Boiling Point: 982.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 150.0±3.0 kJ/mol
Flash Point: 547.8±37.1 °C
Index of Refraction: 1.831
Molar Refractivity: 100.4±0.5 cm3
#H bond acceptors: 18
#H bond donors: 9
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -4.20
ACD/LogD (pH 5.5): -10.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 314 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 155.8±7.0 dyne/cm
Molar Volume: 228.5±7.0 cm3

Click to predict properties on the Chemicalize site


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