ChemSpider 2D Image | 1,3-Dibutyl-5-[(4Z)-4-{(2Z)-3-[3-(1,3-dibutyl-2,4,6-trioxohexahydro-5-pyrimidinyl)-5-hydroxy-1,2-oxazol-4-yl]-2-propen-1-ylidene}-5-oxo-4,5-dihydro-1,2-oxazol-3-yl]-2,4,6(1H,3H,5H)-pyrimidinetrione | C33H42N6O10

1,3-Dibutyl-5-[(4Z)-4-{(2Z)-3-[3-(1,3-dibutyl-2,4,6-trioxohexahydro-5-pyrimidinyl)-5-hydroxy-1,2-oxazol-4-yl]-2-propen-1-ylidene}-5-oxo-4,5-dihydro-1,2-oxazol-3-yl]-2,4,6(1H,3H,5H)-pyrimidinetrione

  • Molecular FormulaC33H42N6O10
  • Average mass682.721 Da
  • Monoisotopic mass682.296265 Da
  • ChemSpider ID114812217

  • Double-bond stereo - Double-bond stereo

More details:

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

1,3-Dibutyl-5-[(4Z)-4-{(2Z)-3-[3-(1,3-dibutyl-2,4,6-trioxohexahydro-5-pyrimidinyl)-5-hydroxy-1,2-oxazol-4-yl]-2-propen-1-yliden}-5-oxo-4,5-dihydro-1,2-oxazol-3-yl]-2,4,6(1H,3H,5H)-pyrimidintrion [German] [ACD/IUPAC Name]
1,3-Dibutyl-5-[(4Z)-4-{(2Z)-3-[3-(1,3-dibutyl-2,4,6-trioxohexahydro-5-pyrimidinyl)-5-hydroxy-1,2-oxazol-4-yl]-2-propen-1-ylidene}-5-oxo-4,5-dihydro-1,2-oxazol-3-yl]-2,4,6(1H,3H,5H)-pyrimidinetrione [ACD/IUPAC Name]
1,3-Dibutyl-5-[(4Z)-4-{(2Z)-3-[3-(1,3-dibutyl-2,4,6-trioxohexahydro-5-pyrimidinyl)-5-hydroxy-1,2-oxazol-4-yl]-2-propén-1-ylidène}-5-oxo-4,5-dihydro-1,2-oxazol-3-yl]-2,4,6(1H,3H,5H)-pyrimidinetrione [French] [ACD/IUPAC Name]
2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-dibutyl-5-[(4Z)-4-[(2Z)-3-[3-(1,3-dibutylhexahydro-2,4,6-trioxo-5-pyrimidinyl)-5-hydroxy-4-isoxazolyl]-2-propen-1-ylidene]-4,5-dihydro-5-oxo-3-isoxazolyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 789.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.8±3.0 kJ/mol
Flash Point: 431.0±35.7 °C
Index of Refraction: 1.636
Molar Refractivity: 175.2±0.5 cm3
#H bond acceptors: 16
#H bond donors: 1
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 2.69
ACD/LogD (pH 5.5): -0.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 200 Å2
Polarizability: 69.5±0.5 10-24cm3
Surface Tension: 56.4±7.0 dyne/cm
Molar Volume: 488.7±7.0 cm3

Click to predict properties on the Chemicalize site


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