Found 1 result

Search term: JSLFGFBQFKCNSQ-NHONBVHKSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 2,4-Bis{3-methoxy-4-[(2-thienylcarbonyl)oxy]phenyl}-1,3-bis{[4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)benzoyl]amino}-1,3-cyclobutanedicarboxylic acid | C54H52N4O16S2

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

  • Molecular FormulaC54H52N4O16S2
  • Average mass1077.138 Da
  • Monoisotopic mass1076.281982 Da
  • ChemSpider ID28669214

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1,3-Cyclobutanedicarboxylic acid, 1,3-bis[[4-[[(1,1-dimethylethoxy)carbonyl]amino]benzoyl]amino]-2,4-bis[3-methoxy-4-[(2-thienylcarbonyl)oxy]phenyl]- [ACD/Index Name]
2,4-Bis{3-methoxy-4-[(2-thienylcarbonyl)oxy]phenyl}-1,3-bis{[4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)benzoyl]amino}-1,3-cyclobutandicarbonsäure [German] [ACD/IUPAC Name]
2,4-Bis{3-methoxy-4-[(2-thienylcarbonyl)oxy]phenyl}-1,3-bis{[4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)benzoyl]amino}-1,3-cyclobutanedicarboxylic acid [ACD/IUPAC Name]
Acide 2,4-bis{3-méthoxy-4-[(2-thiénylcarbonyl)oxy]phényl}-1,3-bis{[4-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)benzoyl]amino}-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: 1110.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 171.0±3.0 kJ/mol
Flash Point: 625.2±34.3 °C
Index of Refraction: 1.675
Molar Refractivity: 275.4±0.4 cm3
#H bond acceptors: 20
#H bond donors: 6
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 4
ACD/LogP: 10.71
ACD/LogD (pH 5.5): 4.78
ACD/BCF (pH 5.5): 208.08
ACD/KOC (pH 5.5): 81.59
ACD/LogD (pH 7.4): 4.57
ACD/BCF (pH 7.4): 127.43
ACD/KOC (pH 7.4): 49.97
Polar Surface Area: 337 Å2
Polarizability: 109.2±0.5 10-24cm3
Surface Tension: 77.5±5.0 dyne/cm
Molar Volume: 733.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement