ChemSpider 2D Image | 4-{(1R,3aR,4S,6aR)-4-[4-(beta-D-Glucopyranosyloxy)-3,5-dimethoxyphenyl]tetrahydro-1H,3H-furo[3,4-c]furan-1-yl}-2,6-dimethoxyphenyl beta-D-glucopyranoside | C34H46O18

4-{(1R,3aR,4S,6aR)-4-[4-(β-D-Glucopyranosyloxy)-3,5-dimethoxyphenyl]tetrahydro-1H,3H-furo[3,4-c]furan-1-yl}-2,6-dimethoxyphenyl β-D-glucopyranoside

  • Molecular FormulaC34H46O18
  • Average mass742.718 Da
  • Monoisotopic mass742.268433 Da
  • ChemSpider ID65047838

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

4-{(1R,3aR,4S,6aR)-4-[4-(β-D-Glucopyranosyloxy)-3,5-dimethoxyphenyl]tetrahydro-1H,3H-furo[3,4-c]furan-1-yl}-2,6-dimethoxyphenyl β-D-glucopyranoside [ACD/IUPAC Name]
4-{(1R,3aR,4S,6aR)-4-[4-(β-D-Glucopyranosyloxy)-3,5-dimethoxyphenyl]tetrahydro-1H,3H-furo[3,4-c]furan-1-yl}-2,6-dimethoxyphenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de 4-{(1R,3aR,4S,6aR)-4-[4-(β-D-glucopyranosyloxy)-3,5-diméthoxyphényl]tétrahydro-1H,3H-furo[3,4-c]furan-1-yl}-2,6-diméthoxyphényle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 4-[(1R,3aR,4S,6aR)-4-[4-(β-D-glucopyranosyloxy)-3,5-dimethoxyphenyl]tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2,6-dimethoxyphenyl [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: 935.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.6±3.0 kJ/mol
Flash Point: 519.7±34.3 °C
Index of Refraction: 1.616
Molar Refractivity: 175.9±0.3 cm3
#H bond acceptors: 18
#H bond donors: 8
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -3.91
ACD/LogD (pH 5.5): -2.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 254 Å2
Polarizability: 69.8±0.5 10-24cm3
Surface Tension: 61.7±3.0 dyne/cm
Molar Volume: 503.6±3.0 cm3

Click to predict properties on the Chemicalize site


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