ChemSpider 2D Image | 3-O-[(2E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoyl]-beta-D-fructofuranosyl 6-O-benzoyl-alpha-D-glucopyranoside | C29H34O15

3-O-[(2E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoyl]-β-D-fructofuranosyl 6-O-benzoyl-α-D-glucopyranoside

  • Molecular FormulaC29H34O15
  • Average mass622.571 Da
  • Monoisotopic mass622.189758 Da
  • ChemSpider ID8184644
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres


More details:






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

3-O-[(2E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoyl]-β-D-fructofuranosyl 6-O-benzoyl-α-D-glucopyranoside [ACD/IUPAC Name]
3-O-[(2E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoyl]-β-D-fructofuranosyl-6-O-benzoyl-α-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-Benzoyl-α-D-glucopyranoside de 3-O-[(2E)-3-(4-hydroxy-3-méthoxyphényl)-2-propenoyl]-β-D-fructofuranosyle [French] [ACD/IUPAC Name]
α-D-Glucopyranoside, 3-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-β-D-fructofuranosyl, 6-benzoate [ACD/Index Name]
Reiniose C

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 864.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.6±3.0 kJ/mol
Flash Point: 280.3±27.8 °C
Index of Refraction: 1.664
Molar Refractivity: 147.3±0.4 cm3
#H bond acceptors: 15
#H bond donors: 7
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 1.67
ACD/BCF (pH 5.5): 10.93
ACD/KOC (pH 5.5): 192.77
ACD/LogD (pH 7.4): 1.67
ACD/BCF (pH 7.4): 10.88
ACD/KOC (pH 7.4): 191.87
Polar Surface Area: 231 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 87.8±5.0 dyne/cm
Molar Volume: 397.0±5.0 cm3

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