ChemSpider 2D Image | (2E,6E,8E,12E)-13-(5,6-Dimethoxy-3-methyl-4-oxo-1,4-dihydro-2-pyridinyl)-11-hydroxy-3,5,7,11-tetramethyl-2,6,8,12-tridecatetraen-4-yl beta-D-glucopyranoside | C31H47NO10

(2E,6E,8E,12E)-13-(5,6-Dimethoxy-3-methyl-4-oxo-1,4-dihydro-2-pyridinyl)-11-hydroxy-3,5,7,11-tetramethyl-2,6,8,12-tridecatetraen-4-yl β-D-glucopyranoside

  • Molecular FormulaC31H47NO10
  • Average mass593.706 Da
  • Monoisotopic mass593.320007 Da
  • ChemSpider ID4943644
  • 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-(5,6-Dimethoxy-3-methyl-4-oxo-1,4-dihydro-2-pyridinyl)-11-hydroxy-3,5,7,11-tetramethyl-2,6,8,12-tridecatetraen-4-yl β-D-glucopyranoside [ACD/IUPAC Name]
(2E,6E,8E,12E)-13-(5,6-Dimethoxy-3-methyl-4-oxo-1,4-dihydro-2-pyridinyl)-11-hydroxy-3,5,7,11-tetramethyl-2,6,8,12-tridecatetraen-4-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4(1H)-Pyridinone, 2-[(1E,5E,7E,11E)-10-(β-D-glucopyranosyloxy)-3-hydroxy-3,7,9,11-tetramethyl-1,5,7,11-tridecatetraen-1-yl]-5,6-dimethoxy-3-methyl- [ACD/Index Name]
β-D-Glucopyranoside de (2E,6E,8E,12E)-13-(5,6-diméthoxy-3-méthyl-4-oxo-1,4-dihydro-2-pyridinyl)-11-hydroxy-3,5,7,11-tétraméthyl-2,6,8,12-tridécatétraén-4-yle [French] [ACD/IUPAC Name]
125535-05-9 [RN]
125591-38-0 [RN]
Glucopiericidinol A1
Glucopiericidinol A2
β-D-Glucopyranoside, 8-hydroxy-10-(4-hydroxy-5,6-dimethoxy-3-methyl-2-pyridinyl)-2,4,8-trimethyl-1-(1-methyl-1-propenyl)-3,5,9-decatrienyl

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 834.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 137.9±6.0 kJ/mol
Flash Point: 458.2±34.3 °C
Index of Refraction: 1.578
Molar Refractivity: 157.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 0.13
ACD/LogD (pH 5.5): 0.56
ACD/BCF (pH 5.5): 1.58
ACD/KOC (pH 5.5): 48.20
ACD/LogD (pH 7.4): 0.57
ACD/BCF (pH 7.4): 1.59
ACD/KOC (pH 7.4): 48.54
Polar Surface Area: 167 Å2
Polarizability: 62.6±0.5 10-24cm3
Surface Tension: 55.4±5.0 dyne/cm
Molar Volume: 475.9±5.0 cm3

Click to predict properties on the Chemicalize site






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