ChemSpider 2D Image | [(2R,3R,4S)-4-(4-Hydroxy-3-methoxybenzyl)-2-(4-hydroxy-3-methoxyphenyl)tetrahydro-3-furanyl]methyl 4-hydroxybenzoate | C27H28O8

[(2R,3R,4S)-4-(4-Hydroxy-3-methoxybenzyl)-2-(4-hydroxy-3-methoxyphenyl)tetrahydro-3-furanyl]methyl 4-hydroxybenzoate

  • Molecular FormulaC27H28O8
  • Average mass480.506 Da
  • Monoisotopic mass480.178406 Da
  • ChemSpider ID127384523

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

[(2R,3R,4S)-4-(4-Hydroxy-3-methoxybenzyl)-2-(4-hydroxy-3-methoxyphenyl)tetrahydro-3-furanyl]methyl 4-hydroxybenzoate [ACD/IUPAC Name]
[(2R,3R,4S)-4-(4-Hydroxy-3-methoxybenzyl)-2-(4-hydroxy-3-methoxyphenyl)tetrahydro-3-furanyl]methyl-4-hydroxybenzoat [German] [ACD/IUPAC Name]
4-Hydroxybenzoate de [(2R,3R,4S)-4-(4-hydroxy-3-méthoxybenzyl)-2-(4-hydroxy-3-méthoxyphényl)tétrahydro-3-furanyl]méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-hydroxy-, [(2R,3R,4S)-tetrahydro-2-(4-hydroxy-3-methoxyphenyl)-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-furanyl]methyl ester [ACD/Index Name]
[(2R,3S,4S)-2-(4-hydroxy-3-methoxyphenyl)-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-yl]methyl 4-hydroxybenzoate
413615-33-5 [RN]
agastinol

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

Density: 1.3±0.1 g/cm3
Boiling Point: 687.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.4±3.0 kJ/mol
Flash Point: 230.6±25.0 °C
Index of Refraction: 1.615
Molar Refractivity: 128.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.84
ACD/LogD (pH 5.5): 3.79
ACD/BCF (pH 5.5): 442.82
ACD/KOC (pH 5.5): 2725.84
ACD/LogD (pH 7.4): 3.72
ACD/BCF (pH 7.4): 377.58
ACD/KOC (pH 7.4): 2324.28
Polar Surface Area: 115 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 56.7±3.0 dyne/cm
Molar Volume: 368.9±3.0 cm3

Click to predict properties on the Chemicalize site


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