Found 1 result

Search term: GAEHXEINDPARON (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 3,3-Dimethyl 1-(2-methyl-2-propanyl) (2S,5S)-5-(2-hydroxyethyl)-2-{4-[(4-methoxybenzyl)oxy]butyl}-1,3,3-pyrrolidinetricarboxylate | C27H41NO9

3,3-Dimethyl 1-(2-methyl-2-propanyl) (2S,5S)-5-(2-hydroxyethyl)-2-{4-[(4-methoxybenzyl)oxy]butyl}-1,3,3-pyrrolidinetricarboxylate

  • Molecular FormulaC27H41NO9
  • Average mass523.616 Da
  • Monoisotopic mass523.278137 Da
  • ChemSpider ID74109079

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,5S)-5-(2-Hydroxyéthyl)-2-{4-[(4-méthoxybenzyl)oxy]butyl}-1,3,3-pyrrolidinetricarboxylate de 3,3-diméthyle et de 1-(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
1,3,3-Pyrrolidinetricarboxylic acid, 5-(2-hydroxyethyl)-2-[4-[(4-methoxyphenyl)methoxy]butyl]-, 1-(1,1-dimethylethyl) 3,3-dimethyl ester, (2S,5S)- [ACD/Index Name]
3,3-Dimethyl 1-(2-methyl-2-propanyl) (2S,5S)-5-(2-hydroxyethyl)-2-{4-[(4-methoxybenzyl)oxy]butyl}-1,3,3-pyrrolidinetricarboxylate [ACD/IUPAC Name]
3,3-Dimethyl-1-(2-methyl-2-propanyl)-(2S,5S)-5-(2-hydroxyethyl)-2-{4-[(4-methoxybenzyl)oxy]butyl}-1,3,3-pyrrolidintricarboxylat [German] [ACD/IUPAC 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: 582.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.7±3.0 kJ/mol
Flash Point: 306.3±30.1 °C
Index of Refraction: 1.510
Molar Refractivity: 135.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 3.45
ACD/LogD (pH 5.5): 3.67
ACD/BCF (pH 5.5): 360.78
ACD/KOC (pH 5.5): 2355.48
ACD/LogD (pH 7.4): 3.67
ACD/BCF (pH 7.4): 360.78
ACD/KOC (pH 7.4): 2355.48
Polar Surface Area: 121 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 43.1±3.0 dyne/cm
Molar Volume: 453.9±3.0 cm3

Click to predict properties on the Chemicalize site


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