ChemSpider 2D Image | 5'-O-[{[{[Hydroperoxy(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine | C10H16N5O14P3

5'-O-[{[{[Hydroperoxy(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine

  • Molecular FormulaC10H16N5O14P3
  • Average mass523.180 Da
  • Monoisotopic mass522.990662 Da
  • ChemSpider ID170003

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

5'-O-[{[{[Hydroperoxy(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosin [German] [ACD/IUPAC Name]
5'-O-[{[{[Hydroperoxy(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine [ACD/IUPAC Name]
5'-O-[{[{[Hydroperoxy(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-O-[[[[(hydroperoxyhydroxyphosphinyl)oxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]- [ACD/Index Name]
5'-Adenylic acid, monoanhydride with peroxydiphosphoric acid (((HO)2P(O))2O2)
80589-10-2 [RN]
Adenosine 5'-(β,γ-peroxytriphosphate)
Adenylyl 5'-peroxydiphosphate
Amp-PO2P
β,γ-Peroxy-ATP

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

Density: 2.6±0.1 g/cm3
Boiling Point: 940.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.3±3.0 kJ/mol
Flash Point: 522.4±37.1 °C
Index of Refraction: 1.882
Molar Refractivity: 91.2±0.5 cm3
#H bond acceptors: 19
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -3.73
ACD/LogD (pH 5.5): -9.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 318 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 192.1±7.0 dyne/cm
Molar Volume: 198.9±7.0 cm3

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