ChemSpider 2D Image | (2R,3E)-4-(2,6,6-Trimethyl-4-oxo-1-cyclohexen-1-yl)-3-buten-2-yl 6-O-beta-D-xylopyranosyl-beta-D-glucopyranoside | C24H38O11

(2R,3E)-4-(2,6,6-Trimethyl-4-oxo-1-cyclohexen-1-yl)-3-buten-2-yl 6-O-β-D-xylopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC24H38O11
  • Average mass502.552 Da
  • Monoisotopic mass502.241425 Da
  • ChemSpider ID9071656
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres


More details:






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

(2R,3E)-4-(2,6,6-Trimethyl-4-oxo-1-cyclohexen-1-yl)-3-buten-2-yl 6-O-β-D-xylopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
(2R,3E)-4-(2,6,6-Trimethyl-4-oxo-1-cyclohexen-1-yl)-3-buten-2-yl-6-O-β-D-xylopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
3-Cyclohexen-1-one, 3,5,5-trimethyl-4-[(1E,3R)-3-[(6-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]-1-buten-1-yl]- [ACD/Index Name]
6-O-β-D-Xylopyranosyl-β-D-glucopyranoside de (2R,3E)-4-(2,6,6-triméthyl-4-oxo-1-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: 721.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.3±6.0 kJ/mol
Flash Point: 239.9±26.4 °C
Index of Refraction: 1.589
Molar Refractivity: 122.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 1.94
ACD/LogD (pH 5.5): 0.90
ACD/BCF (pH 5.5): 2.87
ACD/KOC (pH 5.5): 73.95
ACD/LogD (pH 7.4): 0.90
ACD/BCF (pH 7.4): 2.87
ACD/KOC (pH 7.4): 73.95
Polar Surface Area: 175 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 65.7±5.0 dyne/cm
Molar Volume: 363.6±5.0 cm3

Click to predict properties on the Chemicalize site






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