ChemSpider 2D Image | (2S,3R,4R,5R,6S)-2-{[(2R,3S,4R)-4-Hydroxy-2-methyltetrahydro-2H-pyran-3-yl]methyl}-6-methyltetrahydro-2H-pyran-3,4,5-triyl tribenzoate | C34H36O9

(2S,3R,4R,5R,6S)-2-{[(2R,3S,4R)-4-Hydroxy-2-methyltetrahydro-2H-pyran-3-yl]methyl}-6-methyltetrahydro-2H-pyran-3,4,5-triyl tribenzoate

  • Molecular FormulaC34H36O9
  • Average mass588.644 Da
  • Monoisotopic mass588.235962 Da
  • ChemSpider ID26585933

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2S,3R,4R,5R,6S)-2-{[(2R,3S,4R)-4-Hydroxy-2-methyltetrahydro-2H-pyran-3-yl]methyl}-6-methyltetrahydro-2H-pyran-3,4,5-triyl tribenzoate [ACD/IUPAC Name]
(2S,3R,4R,5R,6S)-2-{[(2R,3S,4R)-4-Hydroxy-2-methyltetrahydro-2H-pyran-3-yl]methyl}-6-methyltetrahydro-2H-pyran-3,4,5-triyl-tribenzoat [German] [ACD/IUPAC Name]
Tribenzoate de (2S,3R,4R,5R,6S)-2-{[(2R,3S,4R)-4-hydroxy-2-méthyltétrahydro-2H-pyran-3-yl]méthyl}-6-méthyltétrahydro-2H-pyrane-3,4,5-triyle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 725.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.2±3.0 kJ/mol
Flash Point: 228.9±25.0 °C
Index of Refraction: 1.606
Molar Refractivity: 156.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.21
ACD/LogD (pH 5.5): 6.35
ACD/BCF (pH 5.5): 39158.48
ACD/KOC (pH 5.5): 67472.73
ACD/LogD (pH 7.4): 6.35
ACD/BCF (pH 7.4): 39158.48
ACD/KOC (pH 7.4): 67472.73
Polar Surface Area: 118 Å2
Polarizability: 62.1±0.5 10-24cm3
Surface Tension: 57.8±5.0 dyne/cm
Molar Volume: 453.9±5.0 cm3

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