ChemSpider 2D Image | N-(9-{(2R,4S,5S)-4-Hydroxy-5-[1-methoxy-1-(methylperoxy)-2,2,2-triphenylethyl]tetrahydro-2-furanyl}-6-oxo-6,9-dihydro-1H-purin-2-yl)-2-methylpropanamide | C35H37N5O7

N-(9-{(2R,4S,5S)-4-Hydroxy-5-[1-methoxy-1-(methylperoxy)-2,2,2-triphenylethyl]tetrahydro-2-furanyl}-6-oxo-6,9-dihydro-1H-purin-2-yl)-2-methylpropanamide

  • Molecular FormulaC35H37N5O7
  • Average mass639.698 Da
  • Monoisotopic mass639.269287 Da
  • ChemSpider ID25949425

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

N-(9-{(2R,4S,5S)-4-Hydroxy-5-[1-methoxy-1-(methylperoxy)-2,2,2-triphenylethyl]tetrahydro-2-furanyl}-6-oxo-6,9-dihydro-1H-purin-2-yl)-2-methylpropanamid [German] [ACD/IUPAC Name]
N-(9-{(2R,4S,5S)-4-Hydroxy-5-[1-methoxy-1-(methylperoxy)-2,2,2-triphenylethyl]tetrahydro-2-furanyl}-6-oxo-6,9-dihydro-1H-purin-2-yl)-2-methylpropanamide [ACD/IUPAC Name]
N-(9-{(2R,4S,5S)-4-Hydroxy-5-[1-méthoxy-1-(méthylperoxy)-2,2,2-triphényléthyl]tétrahydro-2-furanyl}-6-oxo-6,9-dihydro-1H-purin-2-yl)-2-méthylpropanamide [French] [ACD/IUPAC Name]
[68892-41-1] [RN]
5'-O-Dimethoxytrityl-N-Isobutyryl-Deoxyguanosine
MFCD00010059 [MDL number]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.644
Molar Refractivity: 173.2±0.5 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 8.27
ACD/LogD (pH 5.5): 5.35
ACD/BCF (pH 5.5): 6823.30
ACD/KOC (pH 5.5): 19315.43
ACD/LogD (pH 7.4): 5.33
ACD/BCF (pH 7.4): 6607.42
ACD/KOC (pH 7.4): 18704.33
Polar Surface Area: 146 Å2
Polarizability: 68.7±0.5 10-24cm3
Surface Tension: 51.9±7.0 dyne/cm
Molar Volume: 478.3±7.0 cm3

Click to predict properties on the Chemicalize site


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