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ChemSpider 2D Image | 8-(Phenylsulfanyl)-9-(5-O-phosphono-D-ribofuranosyl)-9H-purin-6-ol | C16H17N4O8PS

8-(Phenylsulfanyl)-9-(5-O-phosphono-D-ribofuranosyl)-9H-purin-6-ol

  • Molecular FormulaC16H17N4O8PS
  • Average mass456.367 Da
  • Monoisotopic mass456.050476 Da
  • ChemSpider ID24653422

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

8-(Phenylsulfanyl)-9-(5-O-phosphono-D-ribofuranosyl)-9H-purin-6-ol [German] [ACD/IUPAC Name]
8-(Phenylsulfanyl)-9-(5-O-phosphono-D-ribofuranosyl)-9H-purin-6-ol [ACD/IUPAC Name]
8-(Phénylsulfanyl)-9-(5-O-phosphono-D-ribofuranosyl)-9H-purin-6-ol [French] [ACD/IUPAC Name]
9H-Purin-6-ol, 8-(phenylthio)-9-(5-O-phosphono-D-ribofuranosyl)- [ACD/Index Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 854.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.1±3.0 kJ/mol
Flash Point: 470.5±37.1 °C
Index of Refraction: 1.826
Molar Refractivity: 101.8±0.5 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 0.50
ACD/LogD (pH 5.5): -4.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 215 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 102.9±7.0 dyne/cm
Molar Volume: 232.5±7.0 cm3

Click to predict properties on the Chemicalize site


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