ChemSpider 2D Image | Ethyl (3R)-1-{(2S)-3-[4-(benzyloxy)phenyl]-1-methoxy-1-oxo-2-propanyl}-2,9,14-trioxa-1-azadispiro[4.2.6.2]hexadecane-3-carboxylate | C32H41NO8

Ethyl (3R)-1-{(2S)-3-[4-(benzyloxy)phenyl]-1-methoxy-1-oxo-2-propanyl}-2,9,14-trioxa-1-azadispiro[4.2.6.2]hexadecane-3-carboxylate

  • Molecular FormulaC32H41NO8
  • Average mass567.670 Da
  • Monoisotopic mass567.283203 Da
  • ChemSpider ID9094052

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R)-1-{(2S)-3-[4-(Benzyloxy)phényl]-1-méthoxy-1-oxo-2-propanyl}-2,9,14-trioxa-1-azadispiro[4.2.6.2]hexadécane-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
2,9,14-Trioxa-1-azadispiro[4.2.6.2]hexadecane-1-acetic acid, 3-(ethoxycarbonyl)-α-[[4-(phenylmethoxy)phenyl]methyl]-, methyl ester, (αS,3R)- [ACD/Index Name]
Ethyl (3R)-1-{(2S)-3-[4-(benzyloxy)phenyl]-1-methoxy-1-oxo-2-propanyl}-2,9,14-trioxa-1-azadispiro[4.2.6.2]hexadecane-3-carboxylate [ACD/IUPAC Name]
Ethyl-(3R)-1-{(2S)-3-[4-(benzyloxy)phenyl]-1-methoxy-1-oxo-2-propanyl}-2,9,14-trioxa-1-azadispiro[4.2.6.2]hexadecan-3-carboxylat [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: 681.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.0±3.0 kJ/mol
Flash Point: 366.1±34.3 °C
Index of Refraction: 1.583
Molar Refractivity: 152.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.92
ACD/LogD (pH 5.5): 4.63
ACD/BCF (pH 5.5): 1944.79
ACD/KOC (pH 5.5): 7866.33
ACD/LogD (pH 7.4): 4.63
ACD/BCF (pH 7.4): 1944.79
ACD/KOC (pH 7.4): 7866.33
Polar Surface Area: 93 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 53.9±5.0 dyne/cm
Molar Volume: 456.0±5.0 cm3

Click to predict properties on the Chemicalize site


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