ChemSpider 2D Image | 5'-O-(P-Hydroxy-P-{[hydroxy({hydroxy[1-(2-nitrophenyl)ethoxy]phosphoryl}oxy)phosphoryl]oxy}phosphorimidoyl)guanosine | C18H24N7O15P3

5'-O-(P-Hydroxy-P-{[hydroxy({hydroxy[1-(2-nitrophenyl)ethoxy]phosphoryl}oxy)phosphoryl]oxy}phosphorimidoyl)guanosine

  • Molecular FormulaC18H24N7O15P3
  • Average mass671.342 Da
  • Monoisotopic mass671.054321 Da
  • ChemSpider ID169281

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

5'-O-(P-Hydroxy-P-{[hydroxy({hydroxy[1-(2-nitrophenyl)ethoxy]phosphoryl}oxy)phosphoryl]oxy}phosphorimidoyl)guanosin [German] [ACD/IUPAC Name]
5'-O-(P-Hydroxy-P-{[hydroxy({hydroxy[1-(2-nitrophenyl)ethoxy]phosphoryl}oxy)phosphoryl]oxy}phosphorimidoyl)guanosine [ACD/IUPAC Name]
5'-O-(P-Hydroxy-P-{[hydroxy({hydroxy[1-(2-nitrophényl)éthoxy]phosphoryl}oxy)phosphoryl]oxy}phosphorimidoyl)guanosine [French] [ACD/IUPAC Name]
Guanosine, 5'-O-[hydroxy[[hydroxy[[hydroxy[1-(2-nitrophenyl)ethoxy]phosphinyl]oxy]phosphinyl]oxy]phosphinimyl]- [ACD/Index Name]
1-(2-Nitro)phenylethyl-P(3)-guanylyl imidodiphosphate
116271-22-8 [RN]
Caged GMP-pnp

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

Density: 2.2±0.1 g/cm3
Boiling Point: 1012.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 154.9±3.0 kJ/mol
Flash Point: 566.4±37.1 °C
Index of Refraction: 1.824
Molar Refractivity: 132.1±0.5 cm3
#H bond acceptors: 22
#H bond donors: 9
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -2.18
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 366 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 136.6±7.0 dyne/cm
Molar Volume: 302.4±7.0 cm3

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