ChemSpider 2D Image | 1-{[(2R,3S,4R,5S)-3,4-Dihydroxy-5-{2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl}tetrahydro-2-furanyl]methyl}-3-isopropylurea | C19H30N6O5

1-{[(2R,3S,4R,5S)-3,4-Dihydroxy-5-{2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl}tetrahydro-2-furanyl]methyl}-3-isopropylurea

  • Molecular FormulaC19H30N6O5
  • Average mass422.479 Da
  • Monoisotopic mass422.227783 Da
  • ChemSpider ID21386969

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1-{[(2R,3S,4R,5S)-3,4-Dihydroxy-5-{2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl}tetrahydro-2-furanyl]methyl}-3-isopropylharnstoff [German] [ACD/IUPAC Name]
1-{[(2R,3S,4R,5S)-3,4-Dihydroxy-5-{2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl}tetrahydro-2-furanyl]methyl}-3-isopropylurea [ACD/IUPAC Name]
1-{[(2R,3S,4R,5S)-3,4-Dihydroxy-5-{2-oxo-2-[4-(2-pyrimidinyl)-1-pipérazinyl]éthyl}tétrahydro-2-furanyl]méthyl}-3-isopropylurée [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.578
Molar Refractivity: 107.1±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -0.60
ACD/LogD (pH 5.5): -0.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.05
ACD/LogD (pH 7.4): -0.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.69
Polar Surface Area: 140 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 60.8±3.0 dyne/cm
Molar Volume: 322.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement