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

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

  • Molecular FormulaC31H47NO10
  • Average mass593.706 Da
  • Monoisotopic mass593.320007 Da
  • ChemSpider ID4943744

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2Z,4R,5R,6Z,8Z,11Z)-13-(5,6-Dimethoxy-3-methyl-4-oxo-1,4-dihydro-2-pyridinyl)-1-hydroxy-3,5,7,11-tetramethyl-2,6,8,11-tridecatetraen-4-yl β-D-glucopyranoside [ACD/IUPAC Name]
(2Z,4R,5R,6Z,8Z,11Z)-13-(5,6-Dimethoxy-3-methyl-4-oxo-1,4-dihydro-2-pyridinyl)-1-hydroxy-3,5,7,11-tetramethyl-2,6,8,11-tridecatetraen-4-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4(1H)-Pyridinone, 2-[(2Z,5Z,7Z,9R,10R,11Z)-10-(β-D-glucopyranosyloxy)-13-hydroxy-3,7,9,11-tetramethyl-2,5,7,11-tridecatetraen-1-yl]-5,6-dimethoxy-3-methyl- [ACD/Index Name]
β-D-Glucopyranoside de (2Z,4R,5R,6Z,8Z,11Z)-13-(5,6-diméthoxy-3-méthyl-4-oxo-1,4-dihydro-2-pyridinyl)-1-hydroxy-3,5,7,11-tétraméthyl-2,6,8,11-tridécatétraén-4-yle [French] [ACD/IUPAC Name]
132150-13-1 [RN]
13-Hydroxyglucopiericidin A
β-D-Glucopyranoside, 10-(4-hydroxy-5,6-dimethoxy-3-methyl-2-pyridinyl)-1-(3-hydroxy-1-methyl-1-propenyl)-2,4,8-trimethyl-3,5,8-decatrienyl, (R-(R*,R*(all-E)))-

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

Density: 1.2±0.1 g/cm3
Boiling Point: 825.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 136.6±6.0 kJ/mol
Flash Point: 453.3±34.3 °C
Index of Refraction: 1.577
Molar Refractivity: 157.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 0.86
ACD/LogD (pH 5.5): 0.85
ACD/BCF (pH 5.5): 2.61
ACD/KOC (pH 5.5): 68.99
ACD/LogD (pH 7.4): 0.86
ACD/BCF (pH 7.4): 2.64
ACD/KOC (pH 7.4): 69.75
Polar Surface Area: 167 Å2
Polarizability: 62.5±0.5 10-24cm3
Surface Tension: 55.6±5.0 dyne/cm
Molar Volume: 475.3±5.0 cm3

Click to predict properties on the Chemicalize site


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