ChemSpider 2D Image | 5'-O-{Hydroxy[(hydroxy{[hydroxy({4-[(2-hydroxyethyl)(methyl)amino]benzyl}amino)phosphoryl]oxy}phosphoryl)oxy]phosphoryl}adenosine | C20H30N7O13P3

5'-O-{Hydroxy[(hydroxy{[hydroxy({4-[(2-hydroxyethyl)(methyl)amino]benzyl}amino)phosphoryl]oxy}phosphoryl)oxy]phosphoryl}adenosine

  • Molecular FormulaC20H30N7O13P3
  • Average mass669.413 Da
  • Monoisotopic mass669.111450 Da
  • ChemSpider ID168835

  • 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({4-[(2-hydroxyethyl)(methyl)amino]benzyl}amino)phosphoryl]oxy}phosphoryl)oxy]phosphoryl}adenosin [German] [ACD/IUPAC Name]
5'-O-{Hydroxy[(hydroxy{[hydroxy({4-[(2-hydroxyethyl)(methyl)amino]benzyl}amino)phosphoryl]oxy}phosphoryl)oxy]phosphoryl}adenosine [ACD/IUPAC Name]
5'-O-{Hydroxy[(hydroxy{[hydroxy({4-[(2-hydroxyéthyl)(méthyl)amino]benzyl}amino)phosphoryl]oxy}phosphoryl)oxy]phosphoryl}adénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-O-[hydroxy[[hydroxy[[hydroxy[[[4-[(2-hydroxyethyl)methylamino]phenyl]methyl]amino]phosphinyl]oxy]phosphinyl]oxy]phosphinyl]- [ACD/Index Name]
4-(N-2-Hydroxyethyl-N-methylamino)benzyl-γ-amide ATP
74536-50-8 [RN]
Adenosine 5'-(trihydrogen diphosphate), monoanhydride with ((4-((2-hydroxyethyl)methylamino)phenyl)methyl)phosphoramidic acid
Adenosine triphosphate γ-(4-(N-(2-hydroxyethyl)-N-methylamino)benzylamide)
ATP γ-(4-(N-(2-Hydroxyethyl)-N-methylamino)benzylamide)
N-2-Hmbatp

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

Density: 2.0±0.1 g/cm3
Boiling Point: 1005.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 153.7±3.0 kJ/mol
Flash Point: 561.9±37.1 °C
Index of Refraction: 1.766
Molar Refractivity: 140.2±0.5 cm3
#H bond acceptors: 20
#H bond donors: 9
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -3.10
ACD/LogD (pH 5.5): -9.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 324 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 110.7±7.0 dyne/cm
Molar Volume: 338.7±7.0 cm3

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