ChemSpider 2D Image | 2-METHYLTHIOADENOSINE 5'-TRIPHOSPHATE | C11H18N5O13P3S

2-METHYLTHIOADENOSINE 5'-TRIPHOSPHATE

  • Molecular FormulaC11H18N5O13P3S
  • Average mass553.273 Da
  • Monoisotopic mass552.983459 Da
  • ChemSpider ID4470524
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

2-(Methylsulfanyl)adenosin5'-(tetrahydrogentriphosphat) [German] [ACD/IUPAC Name]
2-(Methylsulfanyl)adenosine 5'-(tetrahydrogen triphosphate) [ACD/IUPAC Name]
2-(Méthylsulfanyl)adénosine-5'-(tétrahydrogène triphosphate) [French] [ACD/IUPAC Name]
2-METHYLTHIOADENOSINE 5'-TRIPHOSPHATE
43170-89-4 [RN]
Adenosine, 2-(methylthio)-, 5'-(tetrahydrogen triphosphate) [ACD/Index Name]
(((2R,3S,4R,5R)-5-(6-Amino-2-(methylthio)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)triphosphoric acid
[(2R,3S,4R,5R)-5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
[[(2R,3S,4R)-5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
2-Mes-atp
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Y37441OBL1 [DBID]
UNII:Y37441OBL1 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.5±0.1 g/cm3
Boiling Point: 1006.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 153.9±3.0 kJ/mol
Flash Point: 562.4±37.1 °C
Index of Refraction: 1.884
Molar Refractivity: 102.0±0.5 cm3
#H bond acceptors: 18
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -3.45
ACD/LogD (pH 5.5): -10.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 334 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 170.0±7.0 dyne/cm
Molar Volume: 222.0±7.0 cm3

Click to predict properties on the Chemicalize site






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