ChemSpider 2D Image | 3'-Deoxy-N-methyladenosine 5'-(tetrahydrogen triphosphate) | C11H18N5O12P3

3'-Deoxy-N-methyladenosine 5'-(tetrahydrogen triphosphate)

  • Molecular FormulaC11H18N5O12P3
  • Average mass505.208 Da
  • Monoisotopic mass505.016479 Da
  • ChemSpider ID2339007

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

3'-Deoxy-N-methyladenosine 5'-(tetrahydrogen triphosphate) [ACD/IUPAC Name]
3'-Desoxy-N-methyladenosin5'-(tetrahydrogentriphosphat) [German] [ACD/IUPAC Name]
3'-Désoxy-N-méthyladénosine-5'-(tétrahydrogène triphosphate) [French] [ACD/IUPAC Name]
Adenosine, 3'-deoxy-N-methyl-, 5'-(tetrahydrogen triphosphate) [ACD/Index Name]
5085-65-4 [RN]
Adenosine 5'-(tetrahydrogen triphosphate), 2'-deoxy-N-methyl-
M6 Datp
N(6)-Methyldeoxyadenosine 5'-triphosphate

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

Density: 2.3±0.1 g/cm3
Boiling Point: 891.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.8±3.0 kJ/mol
Flash Point: 493.0±37.1 °C
Index of Refraction: 1.814
Molar Refractivity: 94.5±0.5 cm3
#H bond acceptors: 17
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -4.01
ACD/LogD (pH 5.5): -9.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 274 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 146.3±7.0 dyne/cm
Molar Volume: 218.3±7.0 cm3

Click to predict properties on the Chemicalize site


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