ChemSpider 2D Image | (3S)-3-{[(2S,3R,4R)-3,4-Bis(4-hydroxy-3-methoxybenzyl)tetrahydro-2-furanyl]oxy}-1-(4-hydroxyphenyl)-5-phenyl-1-pentanone | C37H40O8

(3S)-3-{[(2S,3R,4R)-3,4-Bis(4-hydroxy-3-methoxybenzyl)tetrahydro-2-furanyl]oxy}-1-(4-hydroxyphenyl)-5-phenyl-1-pentanone

  • Molecular FormulaC37H40O8
  • Average mass612.709 Da
  • Monoisotopic mass612.272339 Da
  • ChemSpider ID34532231

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3S)-3-{[(2S,3R,4R)-3,4-Bis(4-hydroxy-3-methoxybenzyl)tetrahydro-2-furanyl]oxy}-1-(4-hydroxyphenyl)-5-phenyl-1-pentanon [German] [ACD/IUPAC Name]
(3S)-3-{[(2S,3R,4R)-3,4-Bis(4-hydroxy-3-methoxybenzyl)tetrahydro-2-furanyl]oxy}-1-(4-hydroxyphenyl)-5-phenyl-1-pentanone [ACD/IUPAC Name]
(3S)-3-{[(2S,3R,4R)-3,4-Bis(4-hydroxy-3-méthoxybenzyl)tétrahydro-2-furanyl]oxy}-1-(4-hydroxyphényl)-5-phényl-1-pentanone [French] [ACD/IUPAC Name]
1-Pentanone, 1-(4-hydroxyphenyl)-5-phenyl-3-[[(2S,3R,4R)-tetrahydro-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]-2-furanyl]oxy]-, (3S)- [ACD/Index 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: 813.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.4±3.0 kJ/mol
Flash Point: 255.1±27.8 °C
Index of Refraction: 1.641
Molar Refractivity: 170.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 6.36
ACD/LogD (pH 5.5): 5.92
ACD/BCF (pH 5.5): 18453.53
ACD/KOC (pH 5.5): 39341.90
ACD/LogD (pH 7.4): 5.82
ACD/BCF (pH 7.4): 14774.61
ACD/KOC (pH 7.4): 31498.65
Polar Surface Area: 115 Å2
Polarizability: 67.6±0.5 10-24cm3
Surface Tension: 63.9±5.0 dyne/cm
Molar Volume: 472.8±5.0 cm3

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