ChemSpider 2D Image | 8-(Methylsulfanyl)adenosine 5'-(dihydrogen phosphate) | C11H16N5O7PS

8-(Methylsulfanyl)adenosine 5'-(dihydrogen phosphate)

  • Molecular FormulaC11H16N5O7PS
  • Average mass393.313 Da
  • Monoisotopic mass393.050812 Da
  • ChemSpider ID34256852

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

54503-66-1 [RN]
8-(Methylsulfanyl)adenosin5'-(dihydrogenphosphat) [German] [ACD/IUPAC Name]
8-(Methylsulfanyl)adenosine 5'-(dihydrogen phosphate) [ACD/IUPAC Name]
8-(Méthylsulfanyl)adénosine-5'-(dihydrogène phosphate) [French] [ACD/IUPAC Name]
Adenosine, 8-(methylthio)-, 5'-(dihydrogen phosphate) [ACD/Index Name]
((2R,3S,4R,5R)-5-(6-Amino-8-(methylthio)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate

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

Density: 2.2±0.1 g/cm3
Boiling Point: 820.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.0±3.0 kJ/mol
Flash Point: 449.9±37.1 °C
Index of Refraction: 1.880
Molar Refractivity: 82.1±0.5 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -0.52
ACD/LogD (pH 5.5): -5.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 221 Å2
Polarizability: 32.6±0.5 10-24cm3
Surface Tension: 122.1±7.0 dyne/cm
Molar Volume: 179.3±7.0 cm3

Click to predict properties on the Chemicalize site


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