ChemSpider 2D Image | 2,2-Bis[2-(4-aminophenyl)ethyl]-6-hydroxy-5-{[4-(hydroxymethyl)-5-methyl-2-(2-methyl-2-propanyl)phenyl]sulfanyl}-2,3-dihydro-4H-pyran-4-one | C33H40N2O4S

2,2-Bis[2-(4-aminophenyl)ethyl]-6-hydroxy-5-{[4-(hydroxymethyl)-5-methyl-2-(2-methyl-2-propanyl)phenyl]sulfanyl}-2,3-dihydro-4H-pyran-4-one

  • Molecular FormulaC33H40N2O4S
  • Average mass560.747 Da
  • Monoisotopic mass560.270874 Da
  • ChemSpider ID414072

More details:

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

2,2-Bis[2-(4-aminophenyl)ethyl]-6-hydroxy-5-{[4-(hydroxymethyl)-5-methyl-2-(2-methyl-2-propanyl)phenyl]sulfanyl}-2,3-dihydro-4H-pyran-4-on [German] [ACD/IUPAC Name]
2,2-Bis[2-(4-aminophenyl)ethyl]-6-hydroxy-5-{[4-(hydroxymethyl)-5-methyl-2-(2-methyl-2-propanyl)phenyl]sulfanyl}-2,3-dihydro-4H-pyran-4-one [ACD/IUPAC Name]
2,2-Bis[2-(4-aminophényl)éthyl]-6-hydroxy-5-{[4-(hydroxyméthyl)-5-méthyl-2-(2-méthyl-2-propanyl)phényl]sulfanyl}-2,3-dihydro-4H-pyran-4-one [French] [ACD/IUPAC Name]
4H-Pyran-4-one, 2,2-bis[2-(4-aminophenyl)ethyl]-5-[[2-(1,1-dimethylethyl)-4-(hydroxymethyl)-5-methylphenyl]thio]-2,3-dihydro-6-hydroxy- [ACD/Index Name]
6,6-Bis-[2-(4-aminophenyl)ethyl]-3-(2-tert-butyl-4-hydroxymethyl-5-methylphenylsulfanyl)-4-hydroxy-5,6-dihydropyran-2-one

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

AIDS071374 [DBID]
AIDS-071374 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 713.4±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: 385.2±32.9 °C
Index of Refraction: 1.657
Molar Refractivity: 163.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.74
ACD/LogD (pH 5.5): 3.03
ACD/BCF (pH 5.5): 60.38
ACD/KOC (pH 5.5): 296.30
ACD/LogD (pH 7.4): 1.43
ACD/BCF (pH 7.4): 1.53
ACD/KOC (pH 7.4): 7.53
Polar Surface Area: 144 Å2
Polarizability: 64.7±0.5 10-24cm3
Surface Tension: 64.6±5.0 dyne/cm
Molar Volume: 443.8±5.0 cm3

Click to predict properties on the Chemicalize site


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