ChemSpider 2D Image | MFCD06656077 | C32H42O16

MFCD06656077

  • Molecular FormulaC32H42O16
  • Average mass682.666 Da
  • Monoisotopic mass682.247314 Da
  • ChemSpider ID151834

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(+)-Pinoresinol 4,4'-O-bisglucopyranoside
4-{(1S,3aR,4S,6aR)-4-[4-(β-D-Glucopyranosyloxy)-3-methoxyphenyl]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-(β-D-Glucopyranosyloxy)-3-methoxyphenyl]tetrahydro-1H,3H-furo[3,4-c]furan-1-yl}-2-methoxyphenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
63902-38-5 [RN]
MFCD06656077
Pinoresinol diglucoside
Pinoresinol di-β-D-glucoside
β-D-Glucopyranoside de 4-{(1S,3aR,4S,6aR)-4-[4-(β-D-glucopyranosyloxy)-3-méthoxyphényl]tétrahydro-1H,3H-furo[3,4-c]furan-1-yl}-2-méthoxyphényle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 4-[(1S,3aR,4S,6aR)-4-[4-(β-D-glucopyranosyloxy)-3-methoxyphenyl]tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2-methoxyphenyl [ACD/Index Name]
(+)-pinoresinol di-O-??-D-glucopyranoside
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 917.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.7±3.0 kJ/mol
Flash Point: 508.6±34.3 °C
Index of Refraction: 1.632
Molar Refractivity: 162.6±0.3 cm3
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -2.92
ACD/LogD (pH 5.5): -2.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.39
ACD/LogD (pH 7.4): -2.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.39
Polar Surface Area: 236 Å2
Polarizability: 64.5±0.5 10-24cm3
Surface Tension: 65.9±3.0 dyne/cm
Molar Volume: 455.6±3.0 cm3

Click to predict properties on the Chemicalize site


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