ChemSpider 2D Image | 5'-O-[{[{[({4-[(2-Chloroethyl)(methyl)amino]benzyl}amino)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine | C20H29ClN7O13P3

5'-O-[{[{[({4-[(2-Chloroethyl)(methyl)amino]benzyl}amino)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine

  • Molecular FormulaC20H29ClN7O13P3
  • Average mass703.858 Da
  • Monoisotopic mass703.072449 Da
  • ChemSpider ID2300277

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

5'-O-[{[{[({4-[(2-Chlorethyl)(methyl)amino]benzyl}amino)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosin [German] [ACD/IUPAC Name]
5'-O-[{[{[({4-[(2-Chloroethyl)(methyl)amino]benzyl}amino)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine [ACD/IUPAC Name]
5'-O-[{[{[({4-[(2-Chloroéthyl)(méthyl)amino]benzyl}amino)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine [French] [ACD/IUPAC Name]
83209-68-1 [RN]
Guanosine, 5'-O-[[[[[[[[4-[(2-chloroethyl)methylamino]phenyl]methyl]amino]hydroxyphosphinyl]oxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]- [ACD/Index Name]
(4-N-(2-Chloroethyl)-N-methylaminobenzyl)amide guanosine-5'-triphosphate
4-(N-(2-Chloroethyl)-N-methylaminobenzyl)-γ-amide GTP
Cmaa-GTP
GTP γ-(4-N-(2-Chloroethyl)-N-methylaminobenzyl)amide
Guanosine 5'-(trihydrogen diphosphate), monoanhydride with ((4-((2-chloroethyl)methylamino)phenyl)methyl)phosphoramidic acid

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

Density: 2.0±0.1 g/cm3
Boiling Point: 1035.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 158.6±3.0 kJ/mol
Flash Point: 579.9±37.1 °C
Index of Refraction: 1.771
Molar Refractivity: 144.8±0.5 cm3
#H bond acceptors: 20
#H bond donors: 9
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -2.26
ACD/LogD (pH 5.5): -8.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 319 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 110.3±7.0 dyne/cm
Molar Volume: 348.0±7.0 cm3

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