ChemSpider 2D Image | [(1R,3R,4R,5R)-1-(6-Amino-9H-purin-9-yl)-4,5-dihydroxy-2-oxabicyclo[3.2.0]hept-6-en-3-yl]methyl trihydrogen diphosphate | C12H15N5O10P2

[(1R,3R,4R,5R)-1-(6-Amino-9H-purin-9-yl)-4,5-dihydroxy-2-oxabicyclo[3.2.0]hept-6-en-3-yl]methyl trihydrogen diphosphate

  • Molecular FormulaC12H15N5O10P2
  • Average mass451.223 Da
  • Monoisotopic mass451.029419 Da
  • ChemSpider ID66424792
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

[(1R,3R,4R,5R)-1-(6-Amino-9H-purin-9-yl)-4,5-dihydroxy-2-oxabicyclo[3.2.0]hept-6-en-3-yl]methyl trihydrogen diphosphate [ACD/IUPAC Name]
[(1R,3R,4R,5R)-1-(6-Amino-9H-purin-9-yl)-4,5-dihydroxy-2-oxabicyclo[3.2.0]hept-6-en-3-yl]methyltrihydrogendiphosphat [German] [ACD/IUPAC Name]
Diphosphoric acid, mono[[(1R,3R,4R,5R)-1-(6-amino-9H-purin-9-yl)-4,5-dihydroxy-2-oxabicyclo[3.2.0]hept-6-en-3-yl]methyl] ester [ACD/Index Name]
Trihydrogénodiphosphate de [(1R,3R,4R,5R)-1-(6-amino-9H-purin-9-yl)-4,5-dihydroxy-2-oxabicyclo[3.2.0]hept-6-én-3-yl]méthyle [French] [ACD/IUPAC Name]
Ethenoadenosine diphosphate

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

Density: 2.4±0.1 g/cm3
Boiling Point: 867.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.1±3.0 kJ/mol
Flash Point: 478.5±37.1 °C
Index of Refraction: 1.920
Molar Refractivity: 87.6±0.5 cm3
#H bond acceptors: 15
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -2.07
ACD/LogD (pH 5.5): -7.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 252 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 171.2±7.0 dyne/cm
Molar Volume: 185.4±7.0 cm3

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