ChemSpider 2D Image | 5'-O-(Hydroxy{[hydroxy(phosphonooxy)phosphorothioyl]oxy}phosphoryl)adenosine | C10H16N5O12P3S

5'-O-(Hydroxy{[hydroxy(phosphonooxy)phosphorothioyl]oxy}phosphoryl)adenosine

  • Molecular FormulaC10H16N5O12P3S
  • Average mass523.247 Da
  • Monoisotopic mass522.972900 Da
  • ChemSpider ID110321
  • defined stereocentres - 4 of 5 defined stereocentres


More details:






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

5'-O-(Hydroxy{[hydroxy(phosphonooxy)phosphorothioyl]oxy}phosphoryl)adenosin [German] [ACD/IUPAC Name]
5'-O-(Hydroxy{[hydroxy(phosphonooxy)phosphorothioyl]oxy}phosphoryl)adenosine [ACD/IUPAC Name]
5'-O-(Hydroxy{[hydroxy(phosphonooxy)phosphorothioyl]oxy}phosphoryl)adénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-O-[hydroxy[[hydroxy(phosphonooxy)phosphinothioyl]oxy]phosphinyl]- [ACD/Index Name]
5'-Adenylic acid, P'-anhydride with thiodiphosphoric acid ((HO)2P(O)OP(S)(OH)2)
60478-94-6 [RN]
adenosine 5'-O-(2-thiotriphosphate)
Adenosine 5'-O-(3-thiotriphosphate)
ATP β S

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

Density: 2.6±0.1 g/cm3
Boiling Point: 940.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.4±3.0 kJ/mol
Flash Point: 522.6±37.1 °C
Index of Refraction: 1.920
Molar Refractivity: 96.3±0.5 cm3
#H bond acceptors: 17
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -3.57
ACD/LogD (pH 5.5): -10.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 324 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 177.9±7.0 dyne/cm
Molar Volume: 203.8±7.0 cm3

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