ChemSpider 2D Image | (1'S,2'S,6'R,7'R,8'R,10'R,12'R)-6'-[(Benzyloxy)methyl]-2'-methyl-8'-[(trimethylsilyl)oxy]spiro[1,3-dioxolane-2,13'-tetracyclo[10.3.1.0~1,10~.0~2,7~]hexadecane]-6'-carbonitrile | C31H45NO4Si

(1'S,2'S,6'R,7'R,8'R,10'R,12'R)-6'-[(Benzyloxy)methyl]-2'-methyl-8'-[(trimethylsilyl)oxy]spiro[1,3-dioxolane-2,13'-tetracyclo[10.3.1.01,10.02,7]hexadecane]-6'-carbonitrile

  • Molecular FormulaC31H45NO4Si
  • Average mass523.779 Da
  • Monoisotopic mass523.311768 Da
  • ChemSpider ID9527901

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1'S,2'S,6'R,7'R,8'R,10'R,12'R)-6'-[(Benzyloxy)methyl]-2'-methyl-8'-[(trimethylsilyl)oxy]spiro[1,3-dioxolane-2,13'-tetracyclo[10.3.1.01,10.02,7]hexadecane]-6'-carbonitrile [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: 594.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.6±3.0 kJ/mol
Flash Point: 313.3±30.1 °C
Index of Refraction: 1.556
Molar Refractivity: 147.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.03
ACD/LogD (pH 5.5): 6.24
ACD/BCF (pH 5.5): 32420.37
ACD/KOC (pH 5.5): 58942.39
ACD/LogD (pH 7.4): 6.24
ACD/BCF (pH 7.4): 32420.37
ACD/KOC (pH 7.4): 58942.39
Polar Surface Area: 61 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 44.1±5.0 dyne/cm
Molar Volume: 460.2±5.0 cm3

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