ChemSpider 2D Image | (3E)-4-(2,6,6-Trimethyl-4-oxo-2-cyclohexen-1-yl)-3-buten-2-yl 2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside | C24H38O11

(3E)-4-(2,6,6-Trimethyl-4-oxo-2-cyclohexen-1-yl)-3-buten-2-yl 2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranoside

  • Molecular FormulaC24H38O11
  • Average mass502.552 Da
  • Monoisotopic mass502.241425 Da
  • ChemSpider ID29814417
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 10 defined stereocentres


More details:






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

(3E)-4-(2,6,6-Trimethyl-4-oxo-2-cyclohexen-1-yl)-3-buten-2-yl 2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranoside [ACD/IUPAC Name]
(3E)-4-(2,6,6-Trimethyl-4-oxo-2-cyclohexen-1-yl)-3-buten-2-yl-2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2-Cyclohexen-1-one, 3,5,5-trimethyl-4-[(1E)-3-[[2-O-[(2S,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-β-D-glucopyranosyl]oxy]-1-buten-1-yl]- [ACD/Index Name]
2-O-[(2S,3R,4R)-3,4-Dihydroxy-4-(hydroxyméthyl)tétrahydro-2-furanyl]-β-D-glucopyranoside de (3E)-4-(2,6,6-triméthyl-4-oxo-2-cyclohexén-1-yl)-3-butén-2-yle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 727.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.3±6.0 kJ/mol
Flash Point: 242.3±26.4 °C
Index of Refraction: 1.590
Molar Refractivity: 122.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 2.05
ACD/LogD (pH 5.5): 0.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 26.19
ACD/LogD (pH 7.4): 0.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 26.19
Polar Surface Area: 175 Å2
Polarizability: 48.7±0.5 10-24cm3
Surface Tension: 66.3±5.0 dyne/cm
Molar Volume: 363.5±5.0 cm3

Click to predict properties on the Chemicalize site






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