ChemSpider 2D Image | 5'-O-[({[(Dioxidophosphorothioyl)oxy]phosphinato}oxy)phosphinato]adenosine | C10H12N5O12P3S

5'-O-[({[(Dioxidophosphorothioyl)oxy]phosphinato}oxy)phosphinato]adenosine

  • Molecular FormulaC10H12N5O12P3S
  • Average mass519.217 Da
  • Monoisotopic mass518.943787 Da
  • ChemSpider ID58145087

  • Charge - Charge

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

5'-O-[({[(Dioxidophosphorothioyl)oxy]phosphinato}oxy)phosphinato]adenosin [German] [ACD/IUPAC Name]
5'-O-[({[(Dioxidophosphorothioyl)oxy]phosphinato}oxy)phosphinato]adenosine [ACD/IUPAC Name]
5'-O-[({[(Dioxydophosphorothioyl)oxy]phosphinato}oxy)phosphinato]adénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-O-[[[[(dihydroxyphosphinothioyl)oxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]-, ion(4-) [ACD/Index Name]
[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (dioxidophosphinothioyloxy-oxidophosphoryl) phosphate
Adenosine- 5'- O- (3- thiotriphosphate)
Adenosine 5'-(3-thio)triphosphate
ATP&γ
ATP&γ;S
ATPgammaS
More...

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

Density:
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:
Molar Refractivity:
#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): -9.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 335 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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