ChemSpider 2D Image | 6-{[(3R,4S)-3-(3-Hydroxypropyl)-4-(4-morpholinyl)-1-piperidinyl]carbonyl}-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione | C19H30N4O5

6-{[(3R,4S)-3-(3-Hydroxypropyl)-4-(4-morpholinyl)-1-piperidinyl]carbonyl}-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC19H30N4O5
  • Average mass394.465 Da
  • Monoisotopic mass394.221619 Da
  • ChemSpider ID29511814

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2,4(1H,3H)-Pyrimidinedione, 6-[[(3R,4S)-3-(3-hydroxypropyl)-4-(4-morpholinyl)-1-piperidinyl]carbonyl]-1,3-dimethyl- [ACD/Index Name]
6-{[(3R,4S)-3-(3-Hydroxypropyl)-4-(4-morpholinyl)-1-piperidinyl]carbonyl}-1,3-dimethyl-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
6-{[(3R,4S)-3-(3-Hydroxypropyl)-4-(4-morpholinyl)-1-piperidinyl]carbonyl}-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
6-{[(3R,4S)-3-(3-Hydroxypropyl)-4-(4-morpholinyl)-1-pipéridinyl]carbonyl}-1,3-diméthyl-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
6-{[(3R*,4S*)-3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]carbonyl}-1,3-dimethylpyrimidine-2,4(1H,3H)-dione

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

Density: 1.3±0.1 g/cm3
Boiling Point: 576.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 99.2±6.0 kJ/mol
Flash Point: 302.7±32.9 °C
Index of Refraction: 1.563
Molar Refractivity: 101.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -1.01
ACD/LogD (pH 5.5): -1.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.32
Polar Surface Area: 94 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 53.1±3.0 dyne/cm
Molar Volume: 311.5±3.0 cm3

Click to predict properties on the Chemicalize site


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