ChemSpider 2D Image | 8-Benzyl-3-{[(3-hydroxy-4-methoxy-2-pyridinyl)carbonyl]amino}-6-methyl-4,9-dioxo-1,5-dioxonan-7-yl (2Z)-2-methyl-2-butenoate | C27H30N2O9

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

  • Molecular FormulaC27H30N2O9
  • Average mass526.535 Da
  • Monoisotopic mass526.195129 Da
  • ChemSpider ID4976799
  • Double-bond stereo - Double-bond stereo


More details:






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

(2Z)-2-Méthyl-2-buténoate de 8-benzyl-3-{[(3-hydroxy-4-méthoxy-2-pyridinyl)carbonyl]amino}-6-méthyl-4,9-dioxo-1,5-dioxonan-7-yle [French] [ACD/IUPAC Name]
8-Benzyl-3-{[(3-hydroxy-4-methoxy-2-pyridinyl)carbonyl]amino}-6-methyl-4,9-dioxo-1,5-dioxonan-7-yl (2Z)-2-methyl-2-butenoate [ACD/IUPAC Name]
8-Benzyl-3-{[(3-hydroxy-4-methoxy-2-pyridinyl)carbonyl]amino}-6-methyl-4,9-dioxo-1,5-dioxonan-7-yl-(2Z)-2-methyl-2-butenoat [German] [ACD/IUPAC Name]
3-[(3-Hydroxy-4-methoxy(2-pyridyl))carbonylamino]-6-methyl-4,9-dioxo-8-benzyl-1,5-dioxonan-7-yl (2Z)-2-methylbut-2-enoate
UK-2B

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

AIDS058492 [DBID]
AIDS-058492 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 799.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.2±3.0 kJ/mol
Flash Point: 437.1±32.9 °C
Index of Refraction: 1.590
Molar Refractivity: 133.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.20
ACD/LogD (pH 5.5): 1.74
ACD/BCF (pH 5.5): 5.60
ACD/KOC (pH 5.5): 46.73
ACD/LogD (pH 7.4): 0.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.06
Polar Surface Area: 150 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 60.8±5.0 dyne/cm
Molar Volume: 395.4±5.0 cm3

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