ChemSpider 2D Image | 5-Bromo-7-[(2xi)-beta-D-threo-pentofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine | C11H13BrN4O4

5-Bromo-7-[(2ξ)-β-D-threo-pentofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

  • Molecular FormulaC11H13BrN4O4
  • Average mass345.149 Da
  • Monoisotopic mass344.012024 Da
  • ChemSpider ID98608716

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

5-Brom-7-[(2ξ)-β-D-threo-pentofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amin [German] [ACD/IUPAC Name]
5-Bromo-7-[(2ξ)-β-D-threo-pentofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine [ACD/IUPAC Name]
5-Bromo-7-[(2ξ)-β-D-thréo-pentofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine [French] [ACD/IUPAC Name]
7H-Pyrrolo[2,3-d]pyrimidin-4-amine, 5-bromo-7-[(2ξ)-β-D-threo-pentofuranosyl]- [ACD/Index Name]

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

Density: 2.3±0.1 g/cm3
Boiling Point: 686.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.8±3.0 kJ/mol
Flash Point: 369.3±31.5 °C
Index of Refraction: 1.870
Molar Refractivity: 69.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 0.65
ACD/LogD (pH 5.5): 0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 23.74
ACD/LogD (pH 7.4): 0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 27.62
Polar Surface Area: 127 Å2
Polarizability: 27.4±0.5 10-24cm3
Surface Tension: 95.3±7.0 dyne/cm
Molar Volume: 152.1±7.0 cm3

Click to predict properties on the Chemicalize site


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