ChemSpider 2D Image | (1S,3aS,4R,6aR)-4-[4-(beta-D-Glucopyranosyloxy)-3-methoxyphenyl]-1-(4-hydroxy-3-methoxyphenyl)dihydro-1H,3H-furo[3,4-c]furan-3a(4H)-yl acetate | C28H34O13

(1S,3aS,4R,6aR)-4-[4-(β-D-Glucopyranosyloxy)-3-methoxyphenyl]-1-(4-hydroxy-3-methoxyphenyl)dihydro-1H,3H-furo[3,4-c]furan-3a(4H)-yl acetate

  • Molecular FormulaC28H34O13
  • Average mass578.562 Da
  • Monoisotopic mass578.199951 Da
  • ChemSpider ID10264201

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1S,3aS,4R,6aR)-4-[4-(β-D-Glucopyranosyloxy)-3-methoxyphenyl]-1-(4-hydroxy-3-methoxyphenyl)dihydro-1H,3H-furo[3,4-c]furan-3a(4H)-yl acetate [ACD/IUPAC Name]
(1S,3aS,4R,6aR)-4-[4-(β-D-Glucopyranosyloxy)-3-methoxyphenyl]-1-(4-hydroxy-3-methoxyphenyl)dihydro-1H,3H-furo[3,4-c]furan-3a(4H)-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (1S,3aS,4R,6aR)-4-[4-(β-D-glucopyranosyloxy)-3-méthoxyphényl]-1-(4-hydroxy-3-méthoxyphényl)dihydro-1H,3H-furo[3,4-c]furan-3a(4H)-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 4-[(1R,3aR,4S,6aS)-6a-(acetyloxy)tetrahydro-4-(4-hydroxy-3-methoxyphenyl)-1H,3H-furo[3,4-c]furan-1-yl]-2-methoxyphenyl [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: 776.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.5±3.0 kJ/mol
Flash Point: 254.4±26.4 °C
Index of Refraction: 1.648
Molar Refractivity: 139.2±0.4 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -0.66
ACD/LogD (pH 5.5): -0.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.57
ACD/LogD (pH 7.4): -0.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 18.50
Polar Surface Area: 183 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 77.5±5.0 dyne/cm
Molar Volume: 382.7±5.0 cm3

Click to predict properties on the Chemicalize site


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