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

(3E)-4-(2,6,6-Trimethyl-4-oxo-2-cyclohexen-1-yl)-3-buten-2-yl 6-O-pentopyranosylhexopyranoside

  • Molecular FormulaC24H38O11
  • Average mass502.552 Da
  • Monoisotopic mass502.241425 Da
  • ChemSpider ID22913647
  • Double-bond stereo - Double-bond stereo


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 6-O-pentopyranosylhexopyranoside [ACD/IUPAC Name]
(3E)-4-(2,6,6-Trimethyl-4-oxo-2-cyclohexen-1-yl)-3-buten-2-yl-6-O-pentopyranosylhexopyranosid [German] [ACD/IUPAC Name]
2-Cyclohexen-1-one, 3,5,5-trimethyl-4-[(1E)-3-[(6-O-pentopyranosylhexopyranosyl)oxy]-1-buten-1-yl]- [ACD/Index Name]
6-O-Pentopyranosylhexopyranoside 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: 711.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 118.9±6.0 kJ/mol
Flash Point: 236.4±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: 7
#Rule of 5 Violations: 3
ACD/LogP: 1.94
ACD/LogD (pH 5.5): 0.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 32.26
ACD/LogD (pH 7.4): 0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 32.26
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

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