ChemSpider 2D Image | 3-(5-Bromo-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-D-alanine | C7H8BrN3O4

3-(5-Bromo-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-D-alanine

  • Molecular FormulaC7H8BrN3O4
  • Average mass278.060 Da
  • Monoisotopic mass276.969818 Da
  • ChemSpider ID62398628

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-Ammonio-3-(5-brom-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)propanoat [German] [ACD/IUPAC Name]
(2R)-2-Ammonio-3-(5-bromo-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)propanoate [ACD/IUPAC Name]
(2R)-2-Ammonio-3-(5-bromo-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)propanoate [French] [ACD/IUPAC Name]
1(2H)-Pyrimidineethanaminium, 5-bromo-α-carboxy-3,4-dihydro-2,4-dioxo-, inner salt, (αR)- [ACD/Index Name]
3-(5-Brom-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-D-alanin [German] [ACD/IUPAC Name]
3-(5-Bromo-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-D-alanine [ACD/IUPAC Name]
3-(5-Bromo-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-D-alanine [French] [ACD/IUPAC Name]
D-Alanine, 3-(5-bromo-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)- [ACD/Index Name]

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: 1.637
Molar Refractivity: 52.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.11
ACD/LogD (pH 5.5): -3.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 113 Å2
Polarizability: 20.6±0.5 10-24cm3
Surface Tension: 79.1±3.0 dyne/cm
Molar Volume: 144.9±3.0 cm3

Click to predict properties on the Chemicalize site


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