ChemSpider 2D Image | 7-(5-Deoxy-5-{isopropyl[3-({[4-(2-methyl-2-propanyl)phenyl]carbamoyl}amino)propyl]amino}-beta-L-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine | C28H41N7O4

7-(5-Deoxy-5-{isopropyl[3-({[4-(2-methyl-2-propanyl)phenyl]carbamoyl}amino)propyl]amino}-β-L-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

  • Molecular FormulaC28H41N7O4
  • Average mass539.670 Da
  • Monoisotopic mass539.322021 Da
  • ChemSpider ID68899513

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

7-(5-Deoxy-5-{isopropyl[3-({[4-(2-methyl-2-propanyl)phenyl]carbamoyl}amino)propyl]amino}-β-L-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine [ACD/IUPAC Name]
7-(5-Desoxy-5-{isopropyl[3-({[4-(2-methyl-2-propanyl)phenyl]carbamoyl}amino)propyl]amino}-β-L-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amin [German] [ACD/IUPAC Name]
7-(5-Désoxy-5-{isopropyl[3-({[4-(2-méthyl-2-propanyl)phényl]carbamoyl}amino)propyl]amino}-β-L-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine [French] [ACD/IUPAC Name]
7H-Pyrrolo[2,3-d]pyrimidin-4-amine, 7-[5-deoxy-5-[[3-[[[[4-(1,1-dimethylethyl)phenyl]amino]carbonyl]amino]propyl](1-methylethyl)amino]-β-L-ribofuranosyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 740.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.4±3.0 kJ/mol
Flash Point: 401.7±32.9 °C
Index of Refraction: 1.646
Molar Refractivity: 147.0±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 3.94
ACD/LogD (pH 5.5): -0.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.38
ACD/BCF (pH 7.4): 2.97
ACD/KOC (pH 7.4): 29.49
Polar Surface Area: 151 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 51.3±7.0 dyne/cm
Molar Volume: 405.1±7.0 cm3

Click to predict properties on the Chemicalize site


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