ChemSpider 2D Image | 5'-O-[{[(2S)-2-Formamido-4-(methylsulfanyl)butanoyl]oxy}(hydroxy)phosphoryl]adenosine | C16H23N6O9PS

5'-O-[{[(2S)-2-Formamido-4-(methylsulfanyl)butanoyl]oxy}(hydroxy)phosphoryl]adenosine

  • Molecular FormulaC16H23N6O9PS
  • Average mass506.427 Da
  • Monoisotopic mass506.098480 Da
  • ChemSpider ID164366

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

5'-O-[{[(2S)-2-Formamido-4-(methylsulfanyl)butanoyl]oxy}(hydroxy)phosphoryl]adenosin [German] [ACD/IUPAC Name]
5'-O-[{[(2S)-2-Formamido-4-(methylsulfanyl)butanoyl]oxy}(hydroxy)phosphoryl]adenosine [ACD/IUPAC Name]
5'-O-[{[(2S)-2-Formamido-4-(méthylsulfanyl)butanoyl]oxy}(hydroxy)phosphoryl]adénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-O-[[(2S)-2-(formylamino)-4-(methylthio)-1-oxobutoxy]hydroxyphosphinyl]- [ACD/Index Name]
3'(2')-O-(N-Formylmethionyl)adenosine 5'-phosphate
58682-53-4 [RN]
L-Methionine, N-formyl-, monoester with 5'-adenylic acid
pA-(Fmet)

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

Density: 1.9±0.1 g/cm3
Boiling Point: 904.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.7±3.0 kJ/mol
Flash Point: 500.6±37.1 °C
Index of Refraction: 1.762
Molar Refractivity: 110.5±0.5 cm3
#H bond acceptors: 15
#H bond donors: 6
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -0.71
ACD/LogD (pH 5.5): -4.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 256 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 93.7±7.0 dyne/cm
Molar Volume: 268.0±7.0 cm3

Click to predict properties on the Chemicalize site


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