ChemSpider 2D Image | Deflouro-(P-Tolylsulfonyloxy)-N-Boc-Florbetapir | C32H40N2O8S

Deflouro-(P-Tolylsulfonyloxy)-N-Boc-Florbetapir

  • Molecular FormulaC32H40N2O8S
  • Average mass612.734 Da
  • Monoisotopic mass612.250549 Da
  • ChemSpider ID68007271

  • Double-bond stereo - Double-bond stereo

More details:

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

1205550-99-7 [RN]
2-(2-{2-[(5-{(E)-2-[4-(Methyl{[(2-methyl-2-propanyl)oxy]carbonyl}amino)phenyl]vinyl}-2-pyridinyl)oxy]ethoxy}ethoxy)ethyl 4-methylbenzenesulfonate [ACD/IUPAC Name]
2-(2-{2-[(5-{(E)-2-[4-(Methyl{[(2-methyl-2-propanyl)oxy]carbonyl}amino)phenyl]vinyl}-2-pyridinyl)oxy]ethoxy}ethoxy)ethyl-4-methylbenzolsulfonat [German] [ACD/IUPAC Name]
4-Méthylbenzènesulfonate de 2-(2-{2-[(5-{(E)-2-[4-(méthyl{[(2-méthyl-2-propanyl)oxy]carbonyl}amino)phényl]vinyl}-2-pyridinyl)oxy]éthoxy}éthoxy)éthyle [French] [ACD/IUPAC Name]
Carbamic acid, N-methyl-N-[4-[(E)-2-[6-[2-[2-[2-[[(4-methylphenyl)sulfonyl]oxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]ethenyl]phenyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
Deflouro-(P-Tolylsulfonyloxy)-N-Boc-Florbetapir
tert-butyl N-methyl-N-{4-[(1E)-2-{6-[2-(2-{2-[(4-methylbenzenesulfonyl)oxy]ethoxy}ethoxy)ethoxy]pyridin-3-yl}ethenyl]phenyl}carbamate
(E)-2-(2-(2-(5-(4-(Tert-butoxycarbonyl(methyl)amino)styryl)pyridin-2-yloxy)ethoxy)ethoxy)ethyl 4-methylbenzenesulfonate
(E)-2-[2-[2-[[5-[4-[Boc-(methyl)amino]styryl]-2-pyridyl]oxy]ethoxy]ethoxy]ethyl 4-Methylbenzenesulfonate
(E)-2-[2-[2-[5-[4-[tert-butoxycarbonyl[methyl]amino]styryl]pyridine-2-yloxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 735.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.3±3.0 kJ/mol
Flash Point: 398.5±32.9 °C
Index of Refraction: 1.571
Molar Refractivity: 164.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 6.01
ACD/LogD (pH 5.5): 5.72
ACD/BCF (pH 5.5): 12988.88
ACD/KOC (pH 5.5): 30509.77
ACD/LogD (pH 7.4): 5.72
ACD/BCF (pH 7.4): 13160.80
ACD/KOC (pH 7.4): 30913.59
Polar Surface Area: 122 Å2
Polarizability: 65.4±0.5 10-24cm3
Surface Tension: 50.9±3.0 dyne/cm
Molar Volume: 501.5±3.0 cm3

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