ChemSpider 2D Image | Ethyl {(1S,5S,7R)-1-[(1S)-1-hydroxy-2-{[(2-methyl-2-propanyl)(diphenyl)silyl]oxy}ethyl]-6-azaspiro[4.5]dec-7-yl}acetate | C31H45NO4Si

Ethyl {(1S,5S,7R)-1-[(1S)-1-hydroxy-2-{[(2-methyl-2-propanyl)(diphenyl)silyl]oxy}ethyl]-6-azaspiro[4.5]dec-7-yl}acetate

  • Molecular FormulaC31H45NO4Si
  • Average mass523.779 Da
  • Monoisotopic mass523.311768 Da
  • ChemSpider ID30790590

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

{(1S,5S,7R)-1-[(1S)-1-Hydroxy-2-{[(2-méthyl-2-propanyl)(diphényl)silyl]oxy}éthyl]-6-azaspiro[4.5]déc-7-yl}acétate d'éthyle [French] [ACD/IUPAC Name]
6-Azaspiro[4.5]decane-7-acetic acid, 1-[(1S)-2-[[(1,1-dimethylethyl)diphenylsilyl]oxy]-1-hydroxyethyl]-, ethyl ester, (1S,5S,7R)- [ACD/Index Name]
Ethyl {(1S,5S,7R)-1-[(1S)-1-hydroxy-2-{[(2-methyl-2-propanyl)(diphenyl)silyl]oxy}ethyl]-6-azaspiro[4.5]dec-7-yl}acetate [ACD/IUPAC Name]
Ethyl-{(1S,5S,7R)-1-[(1S)-1-hydroxy-2-{[(2-methyl-2-propanyl)(diphenyl)silyl]oxy}ethyl]-6-azaspiro[4.5]dec-7-yl}acetat [German] [ACD/IUPAC 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: 587.8±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.3±3.0 kJ/mol
Flash Point: 309.3±26.8 °C
Index of Refraction: 1.560
Molar Refractivity: 152.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 8.05
ACD/LogD (pH 5.5): 3.90
ACD/BCF (pH 5.5): 98.18
ACD/KOC (pH 5.5): 122.34
ACD/LogD (pH 7.4): 4.14
ACD/BCF (pH 7.4): 168.82
ACD/KOC (pH 7.4): 210.37
Polar Surface Area: 68 Å2
Polarizability: 60.6±0.5 10-24cm3
Surface Tension: 43.9±5.0 dyne/cm
Molar Volume: 473.0±5.0 cm3

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