ChemSpider 2D Image | Ethanone, 1-[4-[[2-O-[5-O-(4-hydroxybenzoyl)-D-apio-β-D-furanosyl]-β-D-glucopyranosyl]oxy]phenyl]- | C26H30O13

Ethanone, 1-[4-[[2-O-[5-O-(4-hydroxybenzoyl)-D-apio-β-D-furanosyl]-β-D-glucopyranosyl]oxy]phenyl]-

  • Molecular FormulaC26H30O13
  • Average mass550.509 Da
  • Monoisotopic mass550.168640 Da
  • ChemSpider ID8991792

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

228405-07-0 [RN]
2-O-[(2S,3R,4S)-3,4-Dihydroxy-4-{[(4-hydroxybenzoyl)oxy]méthyl}tétrahydro-2-furanyl]-β-D-glucopyranoside de 4-acétylphényle [French] [ACD/IUPAC Name]
4-Acetylphenyl 2-O-[(2S,3R,4S)-3,4-dihydroxy-4-{[(4-hydroxybenzoyl)oxy]methyl}tetrahydro-2-furanyl]-β-D-glucopyranoside [ACD/IUPAC Name]
4-Acetylphenyl-2-O-[(2S,3R,4S)-3,4-dihydroxy-4-{[(4-hydroxybenzoyl)oxy]methyl}tetrahydro-2-furanyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
Ethanone, 1-[4-[[2-O-[5-O-(4-hydroxybenzoyl)-D-apio-β-D-furanosyl]-β-D-glucopyranosyl]oxy]phenyl]-
β-D-Glucopyranoside, 4-acetylphenyl 2-O-[(2S,3R,4S)-tetrahydro-3,4-dihydroxy-4-[[(4-hydroxybenzoyl)oxy]methyl]-2-furanyl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 843.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.5±3.0 kJ/mol
Flash Point: 282.3±27.8 °C
Index of Refraction: 1.662
Molar Refractivity: 130.2±0.4 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 2.65
ACD/LogD (pH 5.5): 0.62
ACD/BCF (pH 5.5): 1.74
ACD/KOC (pH 5.5): 51.78
ACD/LogD (pH 7.4): 0.55
ACD/BCF (pH 7.4): 1.49
ACD/KOC (pH 7.4): 44.17
Polar Surface Area: 202 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 86.2±5.0 dyne/cm
Molar Volume: 351.8±5.0 cm3

Click to predict properties on the Chemicalize site


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