ChemSpider 2D Image | (1S,3aS,4R,6aR)-1,4-Bis(4-hydroxy-3-methoxyphenyl)dihydro-1H,3H-furo[3,4-c]furan-3a(4H)-yl beta-D-glucopyranoside | C26H32O12

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

  • Molecular FormulaC26H32O12
  • Average mass536.525 Da
  • Monoisotopic mass536.189392 Da
  • ChemSpider ID10264190

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1S,3aS,4R,6aR)-1,4-Bis(4-hydroxy-3-methoxyphenyl)dihydro-1H,3H-furo[3,4-c]furan-3a(4H)-yl β-D-glucopyranoside [ACD/IUPAC Name]
(1S,3aS,4R,6aR)-1,4-Bis(4-hydroxy-3-methoxyphenyl)dihydro-1H,3H-furo[3,4-c]furan-3a(4H)-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de (1S,3aS,4R,6aR)-1,4-bis(4-hydroxy-3-méthoxyphényl)dihydro-1H,3H-furo[3,4-c]furan-3a(4H)-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (1S,3aS,4R,6aR)-dihydro-1,4-bis(4-hydroxy-3-methoxyphenyl)-1H,3H-furo[3,4-c]furan-3a(4H)-yl [ACD/Index Name]
(+)-1-hydroxypinoresinol 1-O-β-D-glucopyranoside
(2S,3R,4S,5S,6R)-2-[[(3R,3aS,6S,6aR)-3,6-bis(4-hydroxy-3-methoxyphenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
1-Hydroxypinoresinol 1-O-glucoside
81495-71-8 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL517863/

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

Density: 1.6±0.1 g/cm3
Boiling Point: 780.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.2±3.0 kJ/mol
Flash Point: 425.9±32.9 °C
Index of Refraction: 1.675
Molar Refractivity: 129.6±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -1.30
ACD/LogD (pH 5.5): -0.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.65
ACD/LogD (pH 7.4): -0.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.58
Polar Surface Area: 177 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 84.7±5.0 dyne/cm
Molar Volume: 345.1±5.0 cm3

Click to predict properties on the Chemicalize site


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