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Search term: YCBYMFFEJARIGU-OKSULDPSSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 1,3-Bis{[4-(isobutyrylamino)benzoyl]amino}-2,4-bis{3-methoxy-4-[(2-thienylcarbonyl)oxy]phenyl}-1,3-cyclobutanedicarboxylic acid | C52H48N4O14S2

1,3-Bis{[4-(isobutyrylamino)benzoyl]amino}-2,4-bis{3-methoxy-4-[(2-thienylcarbonyl)oxy]phenyl}-1,3-cyclobutanedicarboxylic acid

  • Molecular FormulaC52H48N4O14S2
  • Average mass1017.086 Da
  • Monoisotopic mass1016.260864 Da
  • ChemSpider ID28667100

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1,3-Bis{[4-(isobutyrylamino)benzoyl]amino}-2,4-bis{3-methoxy-4-[(2-thienylcarbonyl)oxy]phenyl}-1,3-cyclobutandicarbonsäure [German] [ACD/IUPAC Name]
1,3-Bis{[4-(isobutyrylamino)benzoyl]amino}-2,4-bis{3-methoxy-4-[(2-thienylcarbonyl)oxy]phenyl}-1,3-cyclobutanedicarboxylic acid [ACD/IUPAC Name]
1,3-Cyclobutanedicarboxylic acid, 2,4-bis[3-methoxy-4-[(2-thienylcarbonyl)oxy]phenyl]-1,3-bis[[4-[(2-methyl-1-oxopropyl)amino]benzoyl]amino]- [ACD/Index Name]
Acide 1,3-bis{[4-(isobutyrylamino)benzoyl]amino}-2,4-bis{3-méthoxy-4-[(2-thiénylcarbonyl)oxy]phényl}-1,3-cyclobutanedicarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1219.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 189.9±3.0 kJ/mol
Flash Point: 691.5±34.3 °C
Index of Refraction: 1.686
Molar Refractivity: 262.6±0.4 cm3
#H bond acceptors: 18
#H bond donors: 6
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 4
ACD/LogP: 8.64
ACD/LogD (pH 5.5): 3.03
ACD/BCF (pH 5.5): 9.51
ACD/KOC (pH 5.5): 8.80
ACD/LogD (pH 7.4): 2.85
ACD/BCF (pH 7.4): 6.20
ACD/KOC (pH 7.4): 5.74
Polar Surface Area: 319 Å2
Polarizability: 104.1±0.5 10-24cm3
Surface Tension: 79.1±5.0 dyne/cm
Molar Volume: 690.1±5.0 cm3

Click to predict properties on the Chemicalize site


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