ChemSpider 2D Image | (2E,6E,8E,12E)-13-(5-Ethyl-6-methoxy-3-methyl-4-oxo-4H-pyran-2-yl)-3,5,7,11-tetramethyl-2,6,8,12-tridecatetraen-4-yl beta-D-glucopyranoside | C32H48O9

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

  • Molecular FormulaC32H48O9
  • Average mass576.718 Da
  • Monoisotopic mass576.329834 Da
  • ChemSpider ID26647753

  • 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-(5-Ethyl-6-methoxy-3-methyl-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-(5-Ethyl-6-methoxy-3-methyl-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, 3-ethyl-6-[(1E,5E,7E,11E)-10-(β-D-glucopyranosyloxy)-3,7,9,11-tetramethyl-1,5,7,11-tridecatetraen-1-yl]-2-methoxy-5-methyl- [ACD/Index Name]
β-D-Glucopyranoside de (2E,6E,8E,12E)-13-(5-éthyl-6-méthoxy-3-méthyl-4-oxo-4H-pyran-2-yl)-3,5,7,11-tétraméthyl-2,6,8,12-tridécatétraén-4-yle [French] [ACD/IUPAC Name]
PM060431

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

Density: 1.2±0.1 g/cm3
Boiling Point: 764.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 127.0±6.0 kJ/mol
Flash Point: 238.6±26.4 °C
Index of Refraction: 1.558
Molar Refractivity: 157.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 4.13
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 219.29
ACD/KOC (pH 5.5): 1649.31
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 219.29
ACD/KOC (pH 7.4): 1649.30
Polar Surface Area: 135 Å2
Polarizability: 62.3±0.5 10-24cm3
Surface Tension: 49.7±5.0 dyne/cm
Molar Volume: 487.6±5.0 cm3

Click to predict properties on the Chemicalize site


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