ChemSpider 2D Image | (2E,6E,8E,12E)-13-(6-Methoxy-3,5-dimethyl-4-oxo-4H-pyran-2-yl)-3,5,7,11-tetramethyl-2,6,8,12-tridecatetraen-4-yl beta-D-glucopyranoside | C31H46O9

(2E,6E,8E,12E)-13-(6-Methoxy-3,5-dimethyl-4-oxo-4H-pyran-2-yl)-3,5,7,11-tetramethyl-2,6,8,12-tridecatetraen-4-yl β-D-glucopyranoside

  • Molecular FormulaC31H46O9
  • Average mass562.692 Da
  • Monoisotopic mass562.314209 Da
  • ChemSpider ID26610349

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 8 defined stereocentres

More details:

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

(2E,6E,8E,12E)-13-(6-Methoxy-3,5-dimethyl-4-oxo-4H-pyran-2-yl)-3,5,7,11-tetramethyl-2,6,8,12-tridecatetraen-4-yl β-D-glucopyranoside [ACD/IUPAC Name]
(2E,6E,8E,12E)-13-(6-Methoxy-3,5-dimethyl-4-oxo-4H-pyran-2-yl)-3,5,7,11-tetramethyl-2,6,8,12-tridecatetraen-4-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-Pyran-4-one, 2-[(1E,5E,7E,11E)-10-(β-D-glucopyranosyloxy)-3,7,9,11-tetramethyl-1,5,7,11-tridecatetraen-1-yl]-6-methoxy-3,5-dimethyl- [ACD/Index Name]
β-D-Glucopyranoside de (2E,6E,8E,12E)-13-(6-méthoxy-3,5-diméthyl-4-oxo-4H-pyran-2-yl)-3,5,7,11-tétraméthyl-2,6,8,12-tridécatétraén-4-yle [French] [ACD/IUPAC Name]
PM050511

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

Density: 1.2±0.1 g/cm3
Boiling Point: 757.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 125.8±6.0 kJ/mol
Flash Point: 238.4±26.4 °C
Index of Refraction: 1.561
Molar Refractivity: 152.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 3.60
ACD/LogD (pH 5.5): 2.88
ACD/BCF (pH 5.5): 90.50
ACD/KOC (pH 5.5): 875.32
ACD/LogD (pH 7.4): 2.88
ACD/BCF (pH 7.4): 90.50
ACD/KOC (pH 7.4): 875.31
Polar Surface Area: 135 Å2
Polarizability: 60.5±0.5 10-24cm3
Surface Tension: 50.1±5.0 dyne/cm
Molar Volume: 471.5±5.0 cm3

Click to predict properties on the Chemicalize site


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