ChemSpider 2D Image | 8-Thioxo-8-hydroadenosine 5'-(trihydrogen diphosphate) | C10H15N5O10P2S

8-Thioxo-8-hydroadenosine 5'-(trihydrogen diphosphate)

  • Molecular FormulaC10H15N5O10P2S
  • Average mass459.266 Da
  • Monoisotopic mass459.001495 Da
  • ChemSpider ID57491579

  • 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'-(trihydrogen diphosphate) [ACD/Index Name]
8-Thioxo-8-hydroadenosin5'-(trihydrogendiphosphat) [German] [ACD/IUPAC Name]
8-Thioxo-8-hydroadenosine 5'-(trihydrogen diphosphate) [ACD/IUPAC Name]
8-Thioxo-8-hydroadénosine-5'-(trihydrogène diphosphate) [French] [ACD/IUPAC Name]
59924-55-9 [RN]

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

Density: 2.1±0.1 g/cm3
Boiling Point: 844.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.5±3.0 kJ/mol
Flash Point: 464.3±37.1 °C
Index of Refraction: 1.770
Molar Refractivity: 90.6±0.4 cm3
#H bond acceptors: 15
#H bond donors: 8
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -4.20
ACD/LogD (pH 5.5): -9.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 282 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 167.3±5.0 dyne/cm
Molar Volume: 218.0±5.0 cm3

Click to predict properties on the Chemicalize site


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