ChemSpider 2D Image | 8-Thioxo-8-hydroadenosine 5'-(tetrahydrogen triphosphate) | C10H16N5O13P3S

8-Thioxo-8-hydroadenosine 5'-(tetrahydrogen triphosphate)

  • Molecular FormulaC10H16N5O13P3S
  • Average mass539.246 Da
  • Monoisotopic mass538.967834 Da
  • ChemSpider ID9115727
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

8-Hydroadenosine, 8-thioxo-, 5'-(tetrahydrogen triphosphate) [ACD/Index Name]
8-Thioxo-8-hydroadenosin5'-(tetrahydrogentriphosphat) [German] [ACD/IUPAC Name]
8-Thioxo-8-hydroadenosine 5'-(tetrahydrogen triphosphate) [ACD/IUPAC Name]
8-Thioxo-8-hydroadénosine-5'-(tétrahydrogène triphosphate) [French] [ACD/IUPAC Name]

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

Density: 2.2±0.1 g/cm3
Boiling Point: 920.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 140.2±3.0 kJ/mol
Flash Point: 510.4±37.1 °C
Index of Refraction: 1.751
Molar Refractivity: 100.6±0.4 cm3
#H bond acceptors: 18
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -5.47
ACD/LogD (pH 5.5): -11.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 338 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 171.6±5.0 dyne/cm
Molar Volume: 246.7±5.0 cm3

Click to predict properties on the Chemicalize site






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