ChemSpider 2D Image | 5'-O-[{[({[(4-Formyl-5-hydroxy-6-methyl-3-pyridinyl)methoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine | C18H23N6O16P3

5'-O-[{[({[(4-Formyl-5-hydroxy-6-methyl-3-pyridinyl)methoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine

  • Molecular FormulaC18H23N6O16P3
  • Average mass672.327 Da
  • Monoisotopic mass672.038330 Da
  • ChemSpider ID2339216

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

5'-O-[{[({[(4-Formyl-5-hydroxy-6-methyl-3-pyridinyl)methoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosin [German] [ACD/IUPAC Name]
5'-O-[{[({[(4-Formyl-5-hydroxy-6-methyl-3-pyridinyl)methoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine [ACD/IUPAC Name]
5'-O-[{[({[(4-Formyl-5-hydroxy-6-méthyl-3-pyridinyl)méthoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine [French] [ACD/IUPAC Name]
Guanosine, 5'-O-[[[[[[(4-formyl-5-hydroxy-6-methyl-3-pyridinyl)methoxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]- [ACD/Index Name]
117643-63-7 [RN]
GP3-PL
Guanosine 5'-(tetrahydrogen triphosphate), mono((4-formyl-5-hydroxy-6-methyl-3-pyridinyl)methyl) ester
Guanosine triphosphopyridoxal

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

Density: 2.3±0.1 g/cm3
Boiling Point: 1101.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 169.5±3.0 kJ/mol
Flash Point: 619.7±37.1 °C
Index of Refraction: 1.828
Molar Refractivity: 130.1±0.5 cm3
#H bond acceptors: 22
#H bond donors: 9
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -2.74
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): -9.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 363 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 138.3±7.0 dyne/cm
Molar Volume: 296.8±7.0 cm3

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