ChemSpider 2D Image | 2-{(E)-[(Dimethylamino)methylene]amino}-9-(2-O-[dimethyl(2-methyl-2-propanyl)silyl]-5-O-{[ethyl(vinyl)amino](hydroxy)phosphoryl}-beta-D-ribofuranosyl)-9H-purine | C23H40N7O6PSi

2-{(E)-[(Dimethylamino)methylene]amino}-9-(2-O-[dimethyl(2-methyl-2-propanyl)silyl]-5-O-{[ethyl(vinyl)amino](hydroxy)phosphoryl}-β-D-ribofuranosyl)-9H-purine

  • Molecular FormulaC23H40N7O6PSi
  • Average mass569.666 Da
  • Monoisotopic mass569.254700 Da
  • ChemSpider ID7863503

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2-{(E)-[(Dimethylamino)methylen]amino}-9-(2-O-[dimethyl(2-methyl-2-propanyl)silyl]-5-O-{[ethyl(vinyl)amino](hydroxy)phosphoryl}-β-D-ribofuranosyl)-9H-purin [German] [ACD/IUPAC Name]
2-{(E)-[(Dimethylamino)methylene]amino}-9-(2-O-[dimethyl(2-methyl-2-propanyl)silyl]-5-O-{[ethyl(vinyl)amino](hydroxy)phosphoryl}-β-D-ribofuranosyl)-9H-purine [ACD/IUPAC Name]
2-{(E)-[(Diméthylamino)méthylène]amino}-9-(2-O-[diméthyl(2-méthyl-2-propanyl)silyl]-5-O-{[éthyl(vinyl)amino](hydroxy)phosphoryl}-β-D-ribofuranosyl)-9H-purine [French] [ACD/IUPAC Name]
9H-Purin-2-amine, N-[(1E)-(dimethylamino)methylene]-9-[2-O-[(1,1-dimethylethyl)dimethylsilyl]-5-O-[(ethenylethylamino)hydroxyphosphinyl]-β-D-ribofuranosyl]- [ACD/Index Name]
126922-65-4 [RN]
2-Tbdms-phosphoramidate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 688.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.0±3.0 kJ/mol
Flash Point: 370.2±34.3 °C
Index of Refraction: 1.587
Molar Refractivity: 146.6±0.5 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 1.30
ACD/LogD (pH 5.5): -1.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 157 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 44.5±7.0 dyne/cm
Molar Volume: 436.4±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement