ChemSpider 2D Image | 5-Bromo-1-(2-deoxy-alpha-D-threo-pentofuranosyl)-2,4(1H,3H)-pyrimidinedione | C9H11BrN2O5

5-Bromo-1-(2-deoxy-α-D-threo-pentofuranosyl)-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC9H11BrN2O5
  • Average mass307.098 Da
  • Monoisotopic mass305.985138 Da
  • ChemSpider ID21470029

  • 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-bromo-1-(2-deoxy-α-D-threo-pentofuranosyl)- [ACD/Index Name]
5-Brom-1-(2-desoxy-α-D-threo-pentofuranosyl)-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
5-Bromo-1-(2-deoxy-α-D-threo-pentofuranosyl)-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
5-Bromo-1-(2-désoxy-α-D-thréo-pentofuranosyl)-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
59-14-3 [RN]
Br-dU

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: 1.652
Molar Refractivity: 58.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.81
ACD/LogD (pH 5.5): -0.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.63
ACD/LogD (pH 7.4): -0.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.13
Polar Surface Area: 99 Å2
Polarizability: 23.4±0.5 10-24cm3
Surface Tension: 79.6±3.0 dyne/cm
Molar Volume: 161.2±3.0 cm3

Click to predict properties on the Chemicalize site


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