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Search term: TVAHNFDKASHXMI (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-(4-Hydroxyphenyl)ethyl 6-O-[(2R,3R,4S)-3,4-dihydroxy-4-{[(4-hydroxy-3,5-dimethoxybenzoyl)oxy]methyl}tetrahydro-2-furanyl]-beta-D-glucopyranoside | C28H36O15

2-(4-Hydroxyphenyl)ethyl 6-O-[(2R,3R,4S)-3,4-dihydroxy-4-{[(4-hydroxy-3,5-dimethoxybenzoyl)oxy]methyl}tetrahydro-2-furanyl]-β-D-glucopyranoside

  • Molecular FormulaC28H36O15
  • Average mass612.576 Da
  • Monoisotopic mass612.205444 Da
  • ChemSpider ID24666234

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

2-(4-Hydroxyphenyl)ethyl 6-O-[(2R,3R,4S)-3,4-dihydroxy-4-{[(4-hydroxy-3,5-dimethoxybenzoyl)oxy]methyl}tetrahydro-2-furanyl]-β-D-glucopyranoside [ACD/IUPAC Name]
2-(4-Hydroxyphenyl)ethyl-6-O-[(2R,3R,4S)-3,4-dihydroxy-4-{[(4-hydroxy-3,5-dimethoxybenzoyl)oxy]methyl}tetrahydro-2-furanyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-[(2R,3R,4S)-3,4-Dihydroxy-4-{[(4-hydroxy-3,5-diméthoxybenzoyl)oxy]méthyl}tétrahydro-2-furanyl]-β-D-glucopyranoside de 2-(4-hydroxyphényl)éthyle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 2-(4-hydroxyphenyl)ethyl 6-O-[(2R,3R,4S)-tetrahydro-3,4-dihydroxy-4-[[(4-hydroxy-3,5-dimethoxybenzoyl)oxy]methyl]-2-furanyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 862.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.3±3.0 kJ/mol
Flash Point: 280.7±27.8 °C
Index of Refraction: 1.651
Molar Refractivity: 144.4±0.4 cm3
#H bond acceptors: 15
#H bond donors: 7
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 2.17
ACD/LogD (pH 5.5): 0.96
ACD/BCF (pH 5.5): 3.16
ACD/KOC (pH 5.5): 79.31
ACD/LogD (pH 7.4): 0.90
ACD/BCF (pH 7.4): 2.74
ACD/KOC (pH 7.4): 68.75
Polar Surface Area: 223 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 85.3±5.0 dyne/cm
Molar Volume: 395.3±5.0 cm3

Click to predict properties on the Chemicalize site


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