ChemSpider 2D Image | (2S)-2-Hydroxy-2-[(2R)-4-hydroxy-5-oxo-3-(palmitoyloxy)-2,5-dihydro-2-furanyl]ethyl 3,4,5-trihydroxybenzoate | C29H42O11

(2S)-2-Hydroxy-2-[(2R)-4-hydroxy-5-oxo-3-(palmitoyloxy)-2,5-dihydro-2-furanyl]ethyl 3,4,5-trihydroxybenzoate

  • Molecular FormulaC29H42O11
  • Average mass566.637 Da
  • Monoisotopic mass566.272705 Da
  • ChemSpider ID9961045
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2S)-2-Hydroxy-2-[(2R)-4-hydroxy-5-oxo-3-(palmitoyloxy)-2,5-dihydro-2-furanyl]ethyl 3,4,5-trihydroxybenzoate [ACD/IUPAC Name]
(2S)-2-Hydroxy-2-[(2R)-4-hydroxy-5-oxo-3-(palmitoyloxy)-2,5-dihydro-2-furanyl]ethyl-3,4,5-trihydroxybenzoat [German] [ACD/IUPAC Name]
3,4,5-Trihydroxybenzoate de (2S)-2-hydroxy-2-[(2R)-4-hydroxy-5-oxo-3-(palmitoyloxy)-2,5-dihydro-2-furanyl]éthyle [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: 798.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 121.8±3.0 kJ/mol
Flash Point: 256.2±26.4 °C
Index of Refraction: 1.578
Molar Refractivity: 143.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 4
ACD/LogP: 7.64
ACD/LogD (pH 5.5): 6.56
ACD/BCF (pH 5.5): 57050.18
ACD/KOC (pH 5.5): 88148.37
ACD/LogD (pH 7.4): 6.36
ACD/BCF (pH 7.4): 35473.18
ACD/KOC (pH 7.4): 54809.68
Polar Surface Area: 180 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 64.3±5.0 dyne/cm
Molar Volume: 433.7±5.0 cm3

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