ChemSpider 2D Image | 2-Amino-2'-deoxyadenosine 5'-(tetrahydrogen triphosphate) | C10H17N6O12P3

2-Amino-2'-deoxyadenosine 5'-(tetrahydrogen triphosphate)

  • Molecular FormulaC10H17N6O12P3
  • Average mass506.196 Da
  • Monoisotopic mass506.011719 Da
  • ChemSpider ID117929

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-Amino-2'-deoxyadenosine 5'-(tetrahydrogen triphosphate) [ACD/IUPAC Name]
2-Amino-2'-desoxyadenosin5'-(tetrahydrogentriphosphat) [German] [ACD/IUPAC Name]
2-Amino-2'-désoxyadénosine-5'-(tétrahydrogène triphosphate) [French] [ACD/IUPAC Name]
Adenosine, 2-amino-2'-deoxy-, 5'-(tetrahydrogen triphosphate) [ACD/Index Name]
(((2R,3S,5R)-5-(2,6-Diamino-9H-purin-9-yl)-3-hydroxytetrahydrofuran-2-yl)methyl)triphosphoric acid
({[({[(2R,3S,5R)-5-(2,6-diamino-9H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
({[(2R,3S,5R)-5-(2,6-diaminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxyphosphonic acid
2,6-Diaminopurine deoxyribonucleoside triphosphate
2-Amino-2'-deoxyadenosine 5'-triphosphate
2-NH2-Datp
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.6±0.1 g/cm3
Boiling Point: 1007.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 154.0±3.0 kJ/mol
Flash Point: 562.9±37.1 °C
Index of Refraction: 1.923
Molar Refractivity: 90.9±0.5 cm3
#H bond acceptors: 18
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -4.99
ACD/LogD (pH 5.5): -10.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 314 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 201.1±7.0 dyne/cm
Molar Volume: 191.9±7.0 cm3

Click to predict properties on the Chemicalize site


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