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

(2R,3E)-4-[(1R)-2,6,6-Trimethyl-4-oxo-2-cyclohexen-1-yl]-3-buten-2-yl 6-O-α-L-arabinofuranosyl-β-D-glucopyranoside

  • Molecular FormulaC24H38O11
  • Average mass502.552 Da
  • Monoisotopic mass502.241425 Da
  • ChemSpider ID26381566
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 11 defined stereocentres


More details:






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

(2R,3E)-4-[(1R)-2,6,6-Trimethyl-4-oxo-2-cyclohexen-1-yl]-3-buten-2-yl 6-O-α-L-arabinofuranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
(2R,3E)-4-[(1R)-2,6,6-Trimethyl-4-oxo-2-cyclohexen-1-yl]-3-buten-2-yl-6-O-α-L-arabinofuranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2-Cyclohexen-1-one, 4-[(1E,3R)-3-[(6-O-α-L-arabinofuranosyl-β-D-glucopyranosyl)oxy]-1-buten-1-yl]-3,5,5-trimethyl-, (4R)- [ACD/Index Name]
6-O-α-L-Arabinofuranosyl-β-D-glucopyranoside de (2R,3E)-4-[(1R)-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: 729.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.5±6.0 kJ/mol
Flash Point: 242.8±26.4 °C
Index of Refraction: 1.588
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: 2.14
ACD/LogD (pH 5.5): 0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 29.03
ACD/LogD (pH 7.4): 0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 29.03
Polar Surface Area: 175 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 65.6±5.0 dyne/cm
Molar Volume: 364.3±5.0 cm3

Click to predict properties on the Chemicalize site






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