ChemSpider 2D Image | 2-({2-[2-({1-[4-(Benzyloxy)phenyl]-3-hydroxy-2-propanyl}amino)-2-oxoethyl]-4-pentenoyl}amino)-3,3-dimethylbutyl 5-hexenoate | C35H48N2O6

2-({2-[2-({1-[4-(Benzyloxy)phenyl]-3-hydroxy-2-propanyl}amino)-2-oxoethyl]-4-pentenoyl}amino)-3,3-dimethylbutyl 5-hexenoate

  • Molecular FormulaC35H48N2O6
  • Average mass592.765 Da
  • Monoisotopic mass592.351257 Da
  • ChemSpider ID3463326

More details:

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

2-({2-[2-({1-[4-(Benzyloxy)phenyl]-3-hydroxy-2-propanyl}amino)-2-oxoethyl]-4-pentenoyl}amino)-3,3-dimethylbutyl 5-hexenoate [ACD/IUPAC Name]
2-({2-[2-({1-[4-(Benzyloxy)phenyl]-3-hydroxy-2-propanyl}amino)-2-oxoethyl]-4-pentenoyl}amino)-3,3-dimethylbutyl-5-hexenoat [German] [ACD/IUPAC Name]
5-Hexénoate de 2-({2-[2-({1-[4-(benzyloxy)phényl]-3-hydroxy-2-propanyl}amino)-2-oxoéthyl]-4-pentenoyl}amino)-3,3-diméthylbutyle [French] [ACD/IUPAC Name]
5-Hexenoic acid, 2-[[2-[2-[[2-hydroxy-1-[[4-(phenylmethoxy)phenyl]methyl]ethyl]amino]-2-oxoethyl]-1-oxo-4-penten-1-yl]amino]-3,3-dimethylbutyl ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 781.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.2±3.0 kJ/mol
Flash Point: 426.2±32.9 °C
Index of Refraction: 1.539
Molar Refractivity: 169.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 2
ACD/LogP: 5.92
ACD/LogD (pH 5.5): 5.64
ACD/BCF (pH 5.5): 11327.41
ACD/KOC (pH 5.5): 27767.41
ACD/LogD (pH 7.4): 5.64
ACD/BCF (pH 7.4): 11327.42
ACD/KOC (pH 7.4): 27767.44
Polar Surface Area: 114 Å2
Polarizability: 67.2±0.5 10-24cm3
Surface Tension: 42.4±3.0 dyne/cm
Molar Volume: 541.3±3.0 cm3

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