ChemSpider 2D Image | 3'-O-Methyladenosine 5'-(tetrahydrogen triphosphate) | C11H18N5O13P3

3'-O-Methyladenosine 5'-(tetrahydrogen triphosphate)

  • Molecular FormulaC11H18N5O13P3
  • Average mass521.208 Da
  • Monoisotopic mass521.011414 Da
  • ChemSpider ID34227490

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

3'-O-Methyladenosin5'-(tetrahydrogentriphosphat) [German] [ACD/IUPAC Name]
3'-O-Methyladenosine 5'-(tetrahydrogen triphosphate) [ACD/IUPAC Name]
3'-O-Méthyladénosine-5'-(tétrahydrogène triphosphate) [French] [ACD/IUPAC Name]
Adenosine, 3'-O-methyl-, 5'-(tetrahydrogen triphosphate) [ACD/Index Name]
30993-48-7 [RN]

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

Density: 2.4±0.1 g/cm3
Boiling Point: 907.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.1±3.0 kJ/mol
Flash Point: 502.4±37.1 °C
Index of Refraction: 1.825
Molar Refractivity: 94.8±0.5 cm3
#H bond acceptors: 18
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -3.87
ACD/LogD (pH 5.5): -10.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 298 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 155.7±7.0 dyne/cm
Molar Volume: 216.8±7.0 cm3

Click to predict properties on the Chemicalize site


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