ChemSpider 2D Image | 2-Methyl-2-propanyl 1-({2-(4-{[(6-acetamidohexanoyl)amino]methyl}phenyl)-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-4-yl}methyl)prolinate | C36H51N3O7

2-Methyl-2-propanyl 1-({2-(4-{[(6-acetamidohexanoyl)amino]methyl}phenyl)-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-4-yl}methyl)prolinate

  • Molecular FormulaC36H51N3O7
  • Average mass637.806 Da
  • Monoisotopic mass637.372681 Da
  • ChemSpider ID3614835

More details:

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

1-({2-(4-{[(6-Acétamidohexanoyl)amino]méthyl}phényl)-6-[4-(hydroxyméthyl)phényl]-1,3-dioxan-4-yl}méthyl)prolinate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 1-({2-(4-{[(6-acetamidohexanoyl)amino]methyl}phenyl)-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-4-yl}methyl)prolinate [ACD/IUPAC Name]
2-Methyl-2-propanyl-1-({2-(4-{[(6-acetamidohexanoyl)amino]methyl}phenyl)-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-4-yl}methyl)prolinat [German] [ACD/IUPAC Name]
Proline, 1-[[2-[4-[[[6-(acetylamino)-1-oxohexyl]amino]methyl]phenyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-4-yl]methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 848.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 129.3±3.0 kJ/mol
Flash Point: 467.1±34.3 °C
Index of Refraction: 1.550
Molar Refractivity: 175.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 2.92
ACD/LogD (pH 5.5): 1.33
ACD/BCF (pH 5.5): 2.07
ACD/KOC (pH 5.5): 16.40
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 83.63
ACD/KOC (pH 7.4): 663.31
Polar Surface Area: 126 Å2
Polarizability: 69.7±0.5 10-24cm3
Surface Tension: 46.6±3.0 dyne/cm
Molar Volume: 551.5±3.0 cm3

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