ChemSpider 2D Image | 9-[3-O-(2-Aminobenzoyl)-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-alpha-D-ribofuranosyl]-9H-purin-6-amine | C17H21N6O14P3

9-[3-O-(2-Aminobenzoyl)-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-α-D-ribofuranosyl]-9H-purin-6-amine

  • Molecular FormulaC17H21N6O14P3
  • Average mass626.302 Da
  • Monoisotopic mass626.032837 Da
  • ChemSpider ID118923

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

9-[3-O-(2-Aminobenzoyl)-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-α-D-ribofuranosyl]-9H-purin-6-amin [German] [ACD/IUPAC Name]
9-[3-O-(2-Aminobenzoyl)-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-α-D-ribofuranosyl]-9H-purin-6-amine [ACD/IUPAC Name]
9-[3-O-(2-Aminobenzoyl)-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-α-D-ribofuranosyl]-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-[3-O-(2-aminobenzoyl)-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-α-D-ribofuranosyl]- [ACD/Index Name]
3'-O-Anthraniloyl ATP
85287-49-6 [RN]
Adenosine 5'-(tetrahydrogen triphosphate), 3'-(2-aminobenzoate)
Ant-ATP

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

Density: 2.2±0.1 g/cm3
Boiling Point: 1002.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 153.2±3.0 kJ/mol
Flash Point: 560.0±37.1 °C
Index of Refraction: 1.832
Molar Refractivity: 122.8±0.5 cm3
#H bond acceptors: 20
#H bond donors: 9
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -1.98
ACD/LogD (pH 5.5): -9.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 341 Å2
Polarizability: 48.7±0.5 10-24cm3
Surface Tension: 141.3±7.0 dyne/cm
Molar Volume: 279.3±7.0 cm3

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