ChemSpider 2D Image | 8-(Ethylsulfanyl)adenosine 5'-(dihydrogen phosphate) | C12H18N5O7PS

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

  • Molecular FormulaC12H18N5O7PS
  • Average mass407.339 Da
  • Monoisotopic mass407.066467 Da
  • ChemSpider ID30787866

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

8-(Ethylsulfanyl)adenosin5'-(dihydrogenphosphat) [German] [ACD/IUPAC Name]
8-(Ethylsulfanyl)adenosine 5'-(dihydrogen phosphate) [ACD/IUPAC Name]
8-(Éthylsulfanyl)adénosine-5'-(dihydrogène phosphate) [French] [ACD/IUPAC Name]
Adenosine, 8-(ethylthio)-, 5'-(dihydrogen phosphate) [ACD/Index Name]

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

Density: 2.1±0.1 g/cm3
Boiling Point: 809.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.3±3.0 kJ/mol
Flash Point: 443.1±37.1 °C
Index of Refraction: 1.843
Molar Refractivity: 86.8±0.5 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 0.01
ACD/LogD (pH 5.5): -5.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 221 Å2
Polarizability: 34.4±0.5 10-24cm3
Surface Tension: 111.4±7.0 dyne/cm
Molar Volume: 195.4±7.0 cm3

Click to predict properties on the Chemicalize site


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