ChemSpider 2D Image | 3'-O-(N-Methylanthraniloyl)-Beta:gamma-Imidoguanosine-5'-Triphosphate | C18H24N7O14P3

3'-O-(N-Methylanthraniloyl)-β:γ-Imidoguanosine-5'-Triphosphate

  • Molecular FormulaC18H24N7O14P3
  • Average mass655.343 Da
  • Monoisotopic mass655.059387 Da
  • ChemSpider ID8162380

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

3'-O-(N-Methylanthraniloyl)-β:γ-Imidoguanosine-5'-Triphosphate
5'-O-(Hydroxy{[hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl)-3'-O-[2-(methylamino)benzoyl]guanosin [German] [ACD/IUPAC Name]
5'-O-(Hydroxy{[hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl)-3'-O-[2-(methylamino)benzoyl]guanosine [ACD/IUPAC Name]
5'-O-(Hydroxy{[hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl)-3'-O-[2-(méthylamino)benzoyl]guanosine [French] [ACD/IUPAC Name]
Guanosine, 5'-O-[hydroxy[[hydroxy(phosphonoamino)phosphinyl]oxy]phosphinyl]-, 3'-[2-(methylamino)benzoate] [ACD/Index Name]
({[({[(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-4-hydroxy-3-{[2-(methylamino)phenyl]carbonyloxy}oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}amino)phosphonic acid
GGM
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL398768/

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

Density: 2.2±0.1 g/cm3
Boiling Point: 1058.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 162.3±3.0 kJ/mol
Flash Point: 593.8±37.1 °C
Index of Refraction: 1.831
Molar Refractivity: 130.9±0.5 cm3
#H bond acceptors: 21
#H bond donors: 10
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -2.26
ACD/LogD (pH 5.5): -8.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 345 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 133.8±7.0 dyne/cm
Molar Volume: 297.8±7.0 cm3

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