ChemSpider 2D Image | 1-{[(2R,3R,5S)-2-Hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-3-furanyl]methyl}-3-{[(2S,3R,5R)-2-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-3-fura nyl]methyl}urea | C21H28N6O9

1-{[(2R,3R,5S)-2-Hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-3-furanyl]methyl}-3-{[(2S,3R,5R)-2-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-3-fura nyl]methyl}urea

  • Molecular FormulaC21H28N6O9
  • Average mass508.482 Da
  • Monoisotopic mass508.191772 Da
  • ChemSpider ID34532104

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

1-{[(2R,3R,5S)-2-Hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-3-furanyl]methyl}-3-{[(2S,3R,5R)-2-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-3-fura nyl]methyl}harnstoff [German] [ACD/IUPAC Name]
1-{[(2R,3R,5S)-2-Hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-3-furanyl]methyl}-3-{[(2S,3R,5R)-2-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-3-fura nyl]methyl}urea [ACD/IUPAC Name]
1-{[(2R,3R,5S)-2-Hydroxy-5-(5-méthyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tétrahydro-3-furanyl]méthyl}-3-{[(2S,3R,5R)-2-hydroxy-5-(5-méthyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tétrahydro-3-fura nyl]méthyl}urée [French] [ACD/IUPAC Name]
Urea, N-[[(2R,3R,5S)-5-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)tetrahydro-2-hydroxy-3-furanyl]methyl]-N'-[[(2S,3R,5R)-5-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)tetrahydro-2-hydroxy -3-furanyl]methyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.611
Molar Refractivity: 118.4±0.3 cm3
#H bond acceptors: 15
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -3.61
ACD/LogD (pH 5.5): -3.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 199 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 66.6±3.0 dyne/cm
Molar Volume: 341.3±3.0 cm3

Click to predict properties on the Chemicalize site


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