ChemSpider 2D Image | 4-[(1S,3aR,4S,6aR)-4-(4-Hydroxy-3,5-dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2-methoxyphenyl beta-D-glucopyranoside | C27H34O12

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

  • Molecular FormulaC27H34O12
  • Average mass550.552 Da
  • Monoisotopic mass550.205017 Da
  • ChemSpider ID24662577
  • defined stereocentres - 9 of 9 defined stereocentres


More details:






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

4-[(1S,3aR,4S,6aR)-4-(4-Hydroxy-3,5-dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2-methoxyphenyl β-D-glucopyranoside [ACD/IUPAC Name]
4-[(1S,3aR,4S,6aR)-4-(4-Hydroxy-3,5-dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2-methoxyphenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de 4-[(1S,3aR,4S,6aR)-4-(4-hydroxy-3,5-diméthoxyphényl)tétrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2-méthoxyphényle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 2-methoxy-4-[(1S,3aR,4S,6aR)-tetrahydro-4-(4-hydroxy-3,5-dimethoxyphenyl)-1H,3H-furo[3,4-c]furan-1-yl]phenyl [ACD/Index Name]
ISOEUCOMMIN A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 766.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 117.1±3.0 kJ/mol
Flash Point: 417.4±32.9 °C
Index of Refraction: 1.610
Molar Refractivity: 135.4±0.3 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -1.11
ACD/LogD (pH 5.5): -0.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.54
ACD/LogD (pH 7.4): -0.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.49
Polar Surface Area: 166 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 58.2±3.0 dyne/cm
Molar Volume: 390.9±3.0 cm3

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