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

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

  • Molecular FormulaC10H16N5O12P3S
  • Average mass523.247 Da
  • Monoisotopic mass522.972900 Da
  • ChemSpider ID9550804

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

5'-O-(Hydroxy{[hydroxy(phosphonosulfanyl)phosphoryl]oxy}phosphoryl)adenosin [German] [ACD/IUPAC Name]
5'-O-(Hydroxy{[hydroxy(phosphonosulfanyl)phosphoryl]oxy}phosphoryl)adenosine [ACD/IUPAC Name]
5'-O-(Hydroxy{[hydroxy(phosphonosulfanyl)phosphoryl]oxy}phosphoryl)adénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-O-[hydroxy[[hydroxy(phosphonothio)phosphinyl]oxy]phosphinyl]- [ACD/Index Name]

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

Density: 2.6±0.1 g/cm3
Boiling Point: 986.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 150.6±3.0 kJ/mol
Flash Point: 550.2±37.1 °C
Index of Refraction: 1.942
Molar Refractivity: 96.2±0.5 cm3
#H bond acceptors: 17
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -3.60
ACD/LogD (pH 5.5): -10.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 325 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 197.7±7.0 dyne/cm
Molar Volume: 200.4±7.0 cm3

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