ChemSpider 2D Image | (3E,5E,7E)-6-Methyl-8-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3,5,7-octatrien-2-yl 4-O-beta-D-glucopyranosyl-D-glucopyranoside | C30H48O11

(3E,5E,7E)-6-Methyl-8-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3,5,7-octatrien-2-yl 4-O-β-D-glucopyranosyl-D-glucopyranoside

  • Molecular FormulaC30H48O11
  • Average mass584.695 Da
  • Monoisotopic mass584.319641 Da
  • ChemSpider ID9517213

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 11 defined stereocentres

More details:

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

(3E,5E,7E)-6-Methyl-8-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3,5,7-octatrien-2-yl 4-O-β-D-glucopyranosyl-D-glucopyranoside [ACD/IUPAC Name]
(3E,5E,7E)-6-Methyl-8-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3,5,7-octatrien-2-yl-4-O-β-D-glucopyranosyl-D-glucopyranosid [German] [ACD/IUPAC Name]
4-O-β-D-Glucopyranosyl-D-glucopyranoside de (3E,5E,7E)-6-méthyl-8-(2,6,6-triméthyl-1-cyclohexén-1-yl)-3,5,7-octatrién-2-yle [French] [ACD/IUPAC Name]
D-Glucopyranoside, (2E,4E,6E)-1,5-dimethyl-7-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6-heptatrien-1-yl 4-O-β-D-glucopyranosyl- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 781.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.1 mmHg at 25°C
Enthalpy of Vaporization: 129.7±6.0 kJ/mol
Flash Point: 426.6±32.9 °C
Index of Refraction: 1.591
Molar Refractivity: 151.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 3.58
ACD/LogD (pH 5.5): 2.58
ACD/BCF (pH 5.5): 53.81
ACD/KOC (pH 5.5): 603.30
ACD/LogD (pH 7.4): 2.58
ACD/BCF (pH 7.4): 53.80
ACD/KOC (pH 7.4): 603.29
Polar Surface Area: 179 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 62.2±5.0 dyne/cm
Molar Volume: 447.6±5.0 cm3

Click to predict properties on the Chemicalize site


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