ChemSpider 2D Image | 4-Methoxy-2,6-bis(2-methyl-2-propanyl)phenyl (2E,4S)-4-hydroxy-2-{[(2S)-2-(3-methoxy-3-pentanyl)-1-pyrrolidinyl]imino}-4-(4-methoxyphenyl)butanoate | C36H54N2O6

4-Methoxy-2,6-bis(2-methyl-2-propanyl)phenyl (2E,4S)-4-hydroxy-2-{[(2S)-2-(3-methoxy-3-pentanyl)-1-pyrrolidinyl]imino}-4-(4-methoxyphenyl)butanoate

  • Molecular FormulaC36H54N2O6
  • Average mass610.824 Da
  • Monoisotopic mass610.398193 Da
  • ChemSpider ID9040283

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2E,4S)-4-Hydroxy-2-{[(2S)-2-(3-méthoxy-3-pentanyl)-1-pyrrolidinyl]imino}-4-(4-méthoxyphényl)butanoate de 4-méthoxy-2,6-bis(2-méthyl-2-propanyl)phényle [French] [ACD/IUPAC Name]
4-Methoxy-2,6-bis(2-methyl-2-propanyl)phenyl (2E,4S)-4-hydroxy-2-{[(2S)-2-(3-methoxy-3-pentanyl)-1-pyrrolidinyl]imino}-4-(4-methoxyphenyl)butanoate [ACD/IUPAC Name]
4-Methoxy-2,6-bis(2-methyl-2-propanyl)phenyl-(2E,4S)-4-hydroxy-2-{[(2S)-2-(3-methoxy-3-pentanyl)-1-pyrrolidinyl]imino}-4-(4-methoxyphenyl)butanoat [German] [ACD/IUPAC Name]
Benzenebutanoic acid, α-[[(2S)-2-(1-ethyl-1-methoxypropyl)-1-pyrrolidinyl]imino]-γ-hydroxy-4-methoxy-, 2,6-bis(1,1-dimethylethyl)-4-methoxyphenyl ester, (αE,γS)- [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: 674.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.1±3.0 kJ/mol
Flash Point: 361.8±34.3 °C
Index of Refraction: 1.527
Molar Refractivity: 174.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 7.71
ACD/LogD (pH 5.5): 7.68
ACD/BCF (pH 5.5): 407394.72
ACD/KOC (pH 5.5): 360762.53
ACD/LogD (pH 7.4): 7.68
ACD/BCF (pH 7.4): 407394.28
ACD/KOC (pH 7.4): 360762.13
Polar Surface Area: 90 Å2
Polarizability: 69.2±0.5 10-24cm3
Surface Tension: 35.2±7.0 dyne/cm
Molar Volume: 568.0±7.0 cm3

Click to predict properties on the Chemicalize site


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