ChemSpider 2D Image | 4-{[({5-[(2E)-6-Ethoxy-3-methyl-6-oxo-2-hexen-1-yl]-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-4-yl}oxy)carbonyl]amino}benzoic acid | C27H29NO9

4-{[({5-[(2E)-6-Ethoxy-3-methyl-6-oxo-2-hexen-1-yl]-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-4-yl}oxy)carbonyl]amino}benzoic acid

  • Molecular FormulaC27H29NO9
  • Average mass511.521 Da
  • Monoisotopic mass511.184235 Da
  • ChemSpider ID4944028
  • Double-bond stereo - Double-bond stereo


More details:






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

4-{[({5-[(2E)-6-Ethoxy-3-methyl-6-oxo-2-hexen-1-yl]-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-4-yl}oxy)carbonyl]amino}benzoesäure [German] [ACD/IUPAC Name]
4-{[({5-[(2E)-6-Ethoxy-3-methyl-6-oxo-2-hexen-1-yl]-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-4-yl}oxy)carbonyl]amino}benzoic acid [ACD/IUPAC Name]
Acide 4-{[({5-[(2E)-6-éthoxy-3-méthyl-6-oxo-2-hexén-1-yl]-6-méthoxy-7-méthyl-3-oxo-1,3-dihydro-2-benzofuran-4-yl}oxy)carbonyl]amino}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[[[5-[(2E)-6-ethoxy-3-methyl-6-oxo-2-hexen-1-yl]-1,3-dihydro-6-methoxy-7-methyl-3-oxo-4-isobenzofuranyl]oxy]carbonyl]amino]- [ACD/Index Name]
82970-82-9 [RN]
Benzoic acid, 4-((((5-(6-ethoxy-3-methyl-6-oxo-2-hexenyl)-1,3-dihydro-6-methoxy-7-methyl-3-oxo-4-isobenzofuranyl)oxy)carbonyl)amino)-
Cam prodrug
Ethyl O-(N-(4-carboxyphenyl)carbamoyl)mycophenolate

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

NSC 297879D [DBID]
NSC-297879D [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 713.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.5±3.0 kJ/mol
Flash Point: 385.3±32.9 °C
Index of Refraction: 1.602
Molar Refractivity: 133.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 4.95
ACD/LogD (pH 5.5): 3.80
ACD/BCF (pH 5.5): 216.46
ACD/KOC (pH 5.5): 682.68
ACD/LogD (pH 7.4): 2.25
ACD/BCF (pH 7.4): 6.11
ACD/KOC (pH 7.4): 19.28
Polar Surface Area: 137 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 57.1±3.0 dyne/cm
Molar Volume: 389.1±3.0 cm3

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