ChemSpider 2D Image | 1-O-Acetyl-3,6-bis-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-beta-D-fructofuranosyl 2,4,6-tri-O-acetyl-beta-D-glucopyranoside | C40H46O21

1-O-Acetyl-3,6-bis-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-β-D-fructofuranosyl 2,4,6-tri-O-acetyl-β-D-glucopyranoside

  • Molecular FormulaC40H46O21
  • Average mass862.781 Da
  • Monoisotopic mass862.253174 Da
  • ChemSpider ID8899617

  • 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-3,6-bis-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-β-D-fructofuranosyl 2,4,6-tri-O-acetyl-β-D-glucopyranoside [ACD/IUPAC Name]
1-O-Acetyl-3,6-bis-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-β-D-fructofuranosyl-2,4,6-tri-O-acetyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2,4,6-Tri-O-acétyl-β-D-glucopyranoside de 1-O-acétyl-3,6-bis-O-[(2E)-3-(4-hydroxy-3-méthoxyphényl)-2-propenoyl]-β-D-fructofuranosyle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 1-O-acetyl-3,6-bis-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-β-D-fructofuranosyl, 2,4,6-triacetate [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: 967.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 147.7±3.0 kJ/mol
Flash Point: 287.7±27.8 °C
Index of Refraction: 1.603
Molar Refractivity: 202.7±0.4 cm3
#H bond acceptors: 21
#H bond donors: 4
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 2
ACD/LogP: 4.09
ACD/LogD (pH 5.5): 3.05
ACD/BCF (pH 5.5): 122.01
ACD/KOC (pH 5.5): 1084.02
ACD/LogD (pH 7.4): 3.04
ACD/BCF (pH 7.4): 120.89
ACD/KOC (pH 7.4): 1074.06
Polar Surface Area: 285 Å2
Polarizability: 80.3±0.5 10-24cm3
Surface Tension: 70.8±5.0 dyne/cm
Molar Volume: 590.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement