ChemSpider 2D Image | 5-(Bromoethynyl)-1-(2-deoxy-beta-L-erythro-pentofuranosyl)-2,4(1H,3H)-pyrimidinedione | C11H11BrN2O5

5-(Bromoethynyl)-1-(2-deoxy-β-L-erythro-pentofuranosyl)-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC11H11BrN2O5
  • Average mass331.119 Da
  • Monoisotopic mass329.985138 Da
  • ChemSpider ID57492024

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2,4(1H,3H)-Pyrimidinedione, 5-(2-bromoethynyl)-1-(2-deoxy-β-L-erythro-pentofuranosyl)- [ACD/Index Name]
5-(Bromethinyl)-1-(2-desoxy-β-L-erythro-pentofuranosyl)-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
5-(Bromoethynyl)-1-(2-deoxy-β-L-erythro-pentofuranosyl)-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
5-(Bromoéthynyl)-1-(2-désoxy-β-L-érythro-pentofuranosyl)-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
80384-36-7 [RN]

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.693
Molar Refractivity: 66.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.28
ACD/LogD (pH 5.5): 0.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 27.91
ACD/LogD (pH 7.4): -0.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.39
Polar Surface Area: 99 Å2
Polarizability: 26.5±0.5 10-24cm3
Surface Tension: 91.6±5.0 dyne/cm
Molar Volume: 174.2±5.0 cm3

Click to predict properties on the Chemicalize site


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