ChemSpider 2D Image | 5'-O-[(Phosphonooxy)sulfonyl]adenosine 2'-(dihydrogen phosphate) | C10H15N5O13P2S

5'-O-[(Phosphonooxy)sulfonyl]adenosine 2'-(dihydrogen phosphate)

  • Molecular FormulaC10H15N5O13P2S
  • Average mass507.264 Da
  • Monoisotopic mass506.986237 Da
  • ChemSpider ID8339860

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

5'-O-[(Phosphonooxy)sulfonyl]adenosin2'-(dihydrogenphosphat) [German] [ACD/IUPAC Name]
5'-O-[(Phosphonooxy)sulfonyl]adenosine 2'-(dihydrogen phosphate) [ACD/IUPAC Name]
5'-O-[(Phosphonooxy)sulfonyl]adénosine-2'-(dihydrogène phosphate) [French] [ACD/IUPAC Name]
Adenosine, 5'-O-[(phosphonooxy)sulfonyl]-, 2'-(dihydrogen phosphate) [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: 984.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 150.3±3.0 kJ/mol
Flash Point: 549.0±37.1 °C
Index of Refraction: 1.886
Molar Refractivity: 91.0±0.5 cm3
#H bond acceptors: 18
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -3.54
ACD/LogD (pH 5.5): -9.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 304 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 174.6±7.0 dyne/cm
Molar Volume: 197.7±7.0 cm3

Click to predict properties on the Chemicalize site


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