ChemSpider 2D Image | MFCD24849330 | C26H32O12

MFCD24849330

  • Molecular FormulaC26H32O12
  • Average mass536.525 Da
  • Monoisotopic mass536.189392 Da
  • ChemSpider ID10213113

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

102582-69-4 [RN]
4-[(1S,3aS,4R,6aR)-3a-Hydroxy-4-(4-hydroxy-3-methoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2-methoxyphenyl β-D-glucopyranoside [ACD/IUPAC Name]
4-[(1S,3aS,4R,6aR)-3a-Hydroxy-4-(4-hydroxy-3-methoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2-methoxyphenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
MFCD24849330
β-D-Glucopyranoside de 4-[(1S,3aS,4R,6aR)-3a-hydroxy-4-(4-hydroxy-3-méthoxyphényl)tétrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2-méthoxyphényle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 2-methoxy-4-[(1S,3aS,4R,6aR)-tetrahydro-3a-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-1H,3H-furo[3,4-c]furan-1-yl]phenyl [ACD/Index Name]
8-hydroxypinoresinol-4'-O-β-D-glucopyranoside
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL479730/

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

Density: 1.5±0.1 g/cm3
Boiling Point: 795.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.3±3.0 kJ/mol
Flash Point: 434.9±32.9 °C
Index of Refraction: 1.646
Molar Refractivity: 130.3±0.3 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -0.66
ACD/LogD (pH 5.5): -0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.55
ACD/LogD (pH 7.4): -0.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.50
Polar Surface Area: 177 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 68.8±3.0 dyne/cm
Molar Volume: 358.7±3.0 cm3

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