ChemSpider 2D Image | 4-[(1S,3aS,4R,6aR)-4-(3,4-Dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-3-methoxyphenyl beta-D-glucopyranoside | C27H34O11

4-[(1S,3aS,4R,6aR)-4-(3,4-Dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-3-methoxyphenyl β-D-glucopyranoside

  • Molecular FormulaC27H34O11
  • Average mass534.552 Da
  • Monoisotopic mass534.210083 Da
  • ChemSpider ID24541048

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

4-[(1S,3aS,4R,6aR)-4-(3,4-Dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-3-methoxyphenyl β-D-glucopyranoside [ACD/IUPAC Name]
4-[(1S,3aS,4R,6aR)-4-(3,4-Dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-3-methoxyphenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de 4-[(1S,3aS,4R,6aR)-4-(3,4-diméthoxyphényl)tétrahydro-1H,3H-furo[3,4-c]furan-1-yl]-3-méthoxyphényle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 4-[(1S,3aS,4R,6aR)-4-(3,4-dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-3-methoxyphenyl [ACD/Index Name]
(2S,4S,5S,3R,6R)-2-{4-[(2S,5S,1R,6R)-6-(3,4-dimethoxyphenyl)-3,7-dioxabicyclo[3.3.0]oct-2-yl]-3-methoxyphenoxy}-6-(hydroxymethyl)-2H-3,4,5,6-tetrahydropyran-3,4,5-triol
Phillyrin

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 736.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.8±3.0 kJ/mol
Flash Point: 399.4±32.9 °C
Index of Refraction: 1.596
Molar Refractivity: 133.6±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 0.60
ACD/LogD (pH 5.5): 0.71
ACD/BCF (pH 5.5): 2.03
ACD/KOC (pH 5.5): 57.78
ACD/LogD (pH 7.4): 0.71
ACD/BCF (pH 7.4): 2.03
ACD/KOC (pH 7.4): 57.78
Polar Surface Area: 146 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 54.2±3.0 dyne/cm
Molar Volume: 392.5±3.0 cm3

Click to predict properties on the Chemicalize site


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