ChemSpider 2D Image | 5'-O-[Bis(phosphonooxy)phosphoryl]adenosine | C10H16N5O13P3

5'-O-[Bis(phosphonooxy)phosphoryl]adenosine

  • Molecular FormulaC10H16N5O13P3
  • Average mass507.181 Da
  • Monoisotopic mass506.995758 Da
  • ChemSpider ID10018498
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

50909-87-0 [RN]
5'-O-[Bis(phosphonooxy)phosphoryl]adenosin [German] [ACD/IUPAC Name]
5'-O-[Bis(phosphonooxy)phosphoryl]adenosine [ACD/IUPAC Name]
5'-O-[Bis(phosphonooxy)phosphoryl]adénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-O-[bis(phosphonooxy)phosphinyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.6±0.1 g/cm3
Boiling Point: 951.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 145.1±3.0 kJ/mol
Flash Point: 529.2±37.1 °C
Index of Refraction: 1.904
Molar Refractivity: 89.8±0.5 cm3
#H bond acceptors: 18
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -4.18
ACD/LogD (pH 5.5): -10.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 309 Å2
Polarizability: 35.6±0.5 10-24cm3
Surface Tension: 197.4±7.0 dyne/cm
Molar Volume: 192.4±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement