ChemSpider 2D Image | (2R,3R,4S,5R)-2-(6-Amino-9H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydro-3-furanyl (2S)-2-acetamido-3-phenylpropanoate (non-preferred name) | C21H24N6O6

(2R,3R,4S,5R)-2-(6-Amino-9H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydro-3-furanyl (2S)-2-acetamido-3-phenylpropanoate (non-preferred name)

  • Molecular FormulaC21H24N6O6
  • Average mass456.452 Da
  • Monoisotopic mass456.175720 Da
  • ChemSpider ID57491370

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2R,3R,4S,5R)-2-(6-Amino-9H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydro-3-furanyl (2S)-2-acetamido-3-phenylpropanoate (non-preferred name) [ACD/IUPAC Name]
(2R,3R,4S,5R)-2-(6-Amino-9H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydro-3-furanyl-(2S)-2-acetamido-3-phenylpropanoat (non-preferred name) [German] [ACD/IUPAC Name]
(2S)-2-Acétamido-3-phénylpropanoate de (2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-4-hydroxy-5-(hydroxyméthyl)tétrahydro-3-furanyle (non-preferred name) [French] [ACD/IUPAC Name]
34996-45-7 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.729
Molar Refractivity: 113.2±0.5 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 0.50
ACD/LogD (pH 5.5): 0.68
ACD/BCF (pH 5.5): 1.91
ACD/KOC (pH 5.5): 54.82
ACD/LogD (pH 7.4): 0.69
ACD/BCF (pH 7.4): 1.99
ACD/KOC (pH 7.4): 56.89
Polar Surface Area: 175 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 69.5±7.0 dyne/cm
Molar Volume: 283.9±7.0 cm3

Click to predict properties on the Chemicalize site


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