ChemSpider 2D Image | (6R)-2,6-Anhydro-3-O-benzyl-2-[2-(benzyloxy)ethyl]-6-(cyanomethyl)-1,4-dideoxy-6-methyl-5-O-(triethylsilyl)-D-arabino-hexitol | C31H45NO4Si

(6R)-2,6-Anhydro-3-O-benzyl-2-[2-(benzyloxy)ethyl]-6-(cyanomethyl)-1,4-dideoxy-6-methyl-5-O-(triethylsilyl)-D-arabino-hexitol

  • Molecular FormulaC31H45NO4Si
  • Average mass523.779 Da
  • Monoisotopic mass523.311768 Da
  • ChemSpider ID13165746

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(6R)-2,6-Anhydro-3-O-benzyl-2-[2-(benzyloxy)ethyl]-6-(cyanmethyl)-1,4-didesoxy-6-methyl-5-O-(triethylsilyl)-D-arabino-hexitol [German] [ACD/IUPAC Name]
(6R)-2,6-Anhydro-3-O-benzyl-2-[2-(benzyloxy)ethyl]-6-(cyanomethyl)-1,4-dideoxy-6-methyl-5-O-(triethylsilyl)-D-arabino-hexitol [ACD/IUPAC Name]
(6R)-2,6-Anhydro-3-O-benzyl-2-[2-(benzyloxy)éthyl]-6-(cyanométhyl)-1,4-didésoxy-6-méthyl-5-O-(triéthylsilyl)-D-arabino-hexitol [French] [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: 583.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.2±3.0 kJ/mol
Flash Point: 306.7±30.1 °C
Index of Refraction: 1.530
Molar Refractivity: 153.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 7.77
ACD/LogD (pH 5.5): 7.55
ACD/BCF (pH 5.5): 320329.63
ACD/KOC (pH 5.5): 303724.66
ACD/LogD (pH 7.4): 7.55
ACD/BCF (pH 7.4): 320329.63
ACD/KOC (pH 7.4): 303724.66
Polar Surface Area: 61 Å2
Polarizability: 60.7±0.5 10-24cm3
Surface Tension: 40.4±5.0 dyne/cm
Molar Volume: 495.2±5.0 cm3

Click to predict properties on the Chemicalize site


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