ChemSpider 2D Image | N-(6-Aminohexyl)adenosine 5'-(tetrahydrogen triphosphate) | C16H29N6O13P3

N-(6-Aminohexyl)adenosine 5'-(tetrahydrogen triphosphate)

  • Molecular FormulaC16H29N6O13P3
  • Average mass606.355 Da
  • Monoisotopic mass606.100525 Da
  • ChemSpider ID4955273

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

Adenosine, N-(6-aminohexyl)-, 5'-(tetrahydrogen triphosphate) [ACD/Index Name]
N-(6-Aminohexyl)adenosin5'-(tetrahydrogentriphosphat) [German] [ACD/IUPAC Name]
N-(6-Aminohexyl)adenosine 5'-(tetrahydrogen triphosphate) [ACD/IUPAC Name]
N-(6-Aminohexyl)adénosine-5'-(tétrahydrogène triphosphate) [French] [ACD/IUPAC Name]
(((2R,3S,4R,5R)-5-(6-((6-Aminohexyl)amino)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)triphosphoric acid
({[(2R,3S,4R,5R)-5-{6-[(6-AMINOHEXYL)AMINO]PURIN-9-YL}-3,4-DIHYDROXYOXOLAN-2-YL]METHOXY(HYDROXY)PHOSPHORYL}OXY(HYDROXY)PHOSPHORYL)OXYPHOSPHONIC ACID
53602-93-0 [RN]
Adenosine, 5'-(tetrahydrogen triphosphate), N-(6-aminohexyl)-
AH-ATP
N(6)-Aminohexyladenosine triphosphate
More...

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

Density: 2.1±0.1 g/cm3
Boiling Point: 953.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 145.5±3.0 kJ/mol
Flash Point: 530.7±37.1 °C
Index of Refraction: 1.759
Molar Refractivity: 120.5±0.5 cm3
#H bond acceptors: 19
#H bond donors: 9
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: -2.94
ACD/LogD (pH 5.5): -9.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 321 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 120.9±7.0 dyne/cm
Molar Volume: 293.3±7.0 cm3

Click to predict properties on the Chemicalize site


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