ChemSpider 2D Image | 5'-O-(Hydroxy{[hydroxy({hydroxy[(2-hydroxyethyl)(methyl)amino]phosphoryl}oxy)phosphoryl]oxy}phosphoryl)adenosine | C13H23N6O13P3

5'-O-(Hydroxy{[hydroxy({hydroxy[(2-hydroxyethyl)(methyl)amino]phosphoryl}oxy)phosphoryl]oxy}phosphoryl)adenosine

  • Molecular FormulaC13H23N6O13P3
  • Average mass564.275 Da
  • Monoisotopic mass564.053589 Da
  • ChemSpider ID169838

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

5'-O-(Hydroxy{[hydroxy({hydroxy[(2-hydroxyethyl)(methyl)amino]phosphoryl}oxy)phosphoryl]oxy}phosphoryl)adenosin [German] [ACD/IUPAC Name]
5'-O-(Hydroxy{[hydroxy({hydroxy[(2-hydroxyethyl)(methyl)amino]phosphoryl}oxy)phosphoryl]oxy}phosphoryl)adenosine [ACD/IUPAC Name]
5'-O-(Hydroxy{[hydroxy({hydroxy[(2-hydroxyéthyl)(méthyl)amino]phosphoryl}oxy)phosphoryl]oxy}phosphoryl)adénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-O-[hydroxy[[hydroxy[[hydroxy[(2-hydroxyethyl)methylamino]phosphinyl]oxy]phosphinyl]oxy]phosphinyl]- [ACD/Index Name]
76644-51-4 [RN]
Adenosine 5'-(trihydrogen diphosphate), monoanhydride with (2-hydroxyethyl)methylphosphoramidic acid
Adenosine triphosphate γ-(N-(2-hydroxyethyl)-N-methyl)amide
ATP γ-(N-(2-Hydroxyethyl)-N-methyl)amide
N-2-Hematp
N-2-Hydroxyethyl-N-methyl-γ-amide ATP

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

Density: 2.3±0.1 g/cm3
Boiling Point: 923.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 140.7±3.0 kJ/mol
Flash Point: 512.3±37.1 °C
Index of Refraction: 1.804
Molar Refractivity: 107.4±0.5 cm3
#H bond acceptors: 19
#H bond donors: 8
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -4.89
ACD/LogD (pH 5.5): -11.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 312 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 141.5±7.0 dyne/cm
Molar Volume: 250.4±7.0 cm3

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