ChemSpider 2D Image | 1-O-Acetyl-3-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-beta-D-fructofuranosyl 4,6-di-O-acetyl-alpha-D-glucopyranoside | C27H34O16

1-O-Acetyl-3-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-β-D-fructofuranosyl 4,6-di-O-acetyl-α-D-glucopyranoside

  • Molecular FormulaC27H34O16
  • Average mass614.549 Da
  • Monoisotopic mass614.184692 Da
  • ChemSpider ID34256121

  • 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

1-O-Acetyl-3-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-β-D-fructofuranosyl 4,6-di-O-acetyl-α-D-glucopyranoside [ACD/IUPAC Name]
1-O-Acetyl-3-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-β-D-fructofuranosyl-4,6-di-O-acetyl-α-D-glucopyranosid [German] [ACD/IUPAC Name]
4,6-Di-O-acétyl-α-D-glucopyranoside de 1-O-acétyl-3-O-[(2E)-3-(4-hydroxyphényl)-2-propenoyl]-β-D-fructofuranosyle [French] [ACD/IUPAC Name]
α-D-Glucopyranoside, 1-O-acetyl-3-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-fructofuranosyl, 4,6-diacetate [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: 787.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.2±3.0 kJ/mol
Flash Point: 254.8±26.4 °C
Index of Refraction: 1.601
Molar Refractivity: 140.0±0.4 cm3
#H bond acceptors: 16
#H bond donors: 5
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 2.25
ACD/LogD (pH 5.5): 0.89
ACD/BCF (pH 5.5): 2.81
ACD/KOC (pH 5.5): 72.82
ACD/LogD (pH 7.4): 0.89
ACD/BCF (pH 7.4): 2.79
ACD/KOC (pH 7.4): 72.44
Polar Surface Area: 234 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 74.5±5.0 dyne/cm
Molar Volume: 408.5±5.0 cm3

Click to predict properties on the Chemicalize site


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