ChemSpider 2D Image | 8-Benzyl-3-[(4E)-6-{[(3-hydroxy-4-methoxy-2-pyridinyl)carbonyl]amino}-4-methyl-2,4-hexadien-2-yl]-6-methyl-4,9-dioxo-1,5-dioxonan-7-yl 2-methylpropanoate | C33H40N2O9

8-Benzyl-3-[(4E)-6-{[(3-hydroxy-4-methoxy-2-pyridinyl)carbonyl]amino}-4-methyl-2,4-hexadien-2-yl]-6-methyl-4,9-dioxo-1,5-dioxonan-7-yl 2-methylpropanoate

  • Molecular FormulaC33H40N2O9
  • Average mass608.679 Da
  • Monoisotopic mass608.273376 Da
  • ChemSpider ID4977770

  • Double-bond stereo - Double-bond stereo

More details:

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

2-Méthylpropanoate de 8-benzyl-3-[(4E)-6-{[(3-hydroxy-4-méthoxy-2-pyridinyl)carbonyl]amino}-4-méthyl-2,4-hexadién-2-yl]-6-méthyl-4,9-dioxo-1,5-dioxonan-7-yle [French] [ACD/IUPAC Name]
8-Benzyl-3-[(4E)-6-{[(3-hydroxy-4-methoxy-2-pyridinyl)carbonyl]amino}-4-methyl-2,4-hexadien-2-yl]-6-methyl-4,9-dioxo-1,5-dioxonan-7-yl 2-methylpropanoate [ACD/IUPAC Name]
8-Benzyl-3-[(4E)-6-{[(3-hydroxy-4-methoxy-2-pyridinyl)carbonyl]amino}-4-methyl-2,4-hexadien-2-yl]-6-methyl-4,9-dioxo-1,5-dioxonan-7-yl-2-methylpropanoat [German] [ACD/IUPAC Name]
3-{5-[(3-Hydroxy-4-methoxy(2-pyridyl))carbonylamino]-1,3-dimethylpenta-1,3-dienyl}-6-methyl-4,9-dioxo-8-benzyl-1,5-dioxonan-7-yl 2-methylpropanoate
Gera-UK-2A

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

AIDS110762 [DBID]
AIDS-110762 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 830.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.9±3.0 kJ/mol
Flash Point: 456.2±34.3 °C
Index of Refraction: 1.577
Molar Refractivity: 160.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 4.73
ACD/LogD (pH 5.5): 3.45
ACD/BCF (pH 5.5): 122.05
ACD/KOC (pH 5.5): 475.01
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 7.4): 6.53
ACD/KOC (pH 7.4): 25.42
Polar Surface Area: 150 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 55.7±5.0 dyne/cm
Molar Volume: 485.5±5.0 cm3

Click to predict properties on the Chemicalize site


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