ChemSpider 2D Image | (2R,3R)-4-[(2,4-Dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)amino]-2,3-dihydroxy-4-oxobutanoic acid | C8H9N3O7

(2R,3R)-4-[(2,4-Dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)amino]-2,3-dihydroxy-4-oxobutanoic acid

  • Molecular FormulaC8H9N3O7
  • Average mass259.173 Da
  • Monoisotopic mass259.044037 Da
  • ChemSpider ID120955074

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3R)-4-[(2,4-Dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)amino]-2,3-dihydroxy-4-oxobutanoic acid [ACD/IUPAC Name]
(2R,3R)-4-[(2,4-Dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)amino]-2,3-dihydroxy-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide (2R,3R)-4-[(2,4-dioxo-1,2,3,4-tétrahydro-5-pyrimidinyl)amino]-2,3-dihydroxy-4-oxobutanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 2,3-dihydroxy-4-oxo-4-[(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)amino]-, (2R,3R)- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.671
Molar Refractivity: 52.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -1.53
ACD/LogD (pH 5.5): -3.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 165 Å2
Polarizability: 20.9±0.5 10-24cm3
Surface Tension: 110.7±5.0 dyne/cm
Molar Volume: 140.9±5.0 cm3

Click to predict properties on the Chemicalize site


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