ChemSpider 2D Image | 2-(4-Methyl-3-cyclohexen-1-yl)-2-propanyl 6-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranoside | C23H32O10

2-(4-Methyl-3-cyclohexen-1-yl)-2-propanyl 6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranoside

  • Molecular FormulaC23H32O10
  • Average mass468.494 Da
  • Monoisotopic mass468.199554 Da
  • ChemSpider ID21615409

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

2-(4-Methyl-3-cyclohexen-1-yl)-2-propanyl 6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranoside [ACD/IUPAC Name]
2-(4-Methyl-3-cyclohexen-1-yl)-2-propanyl-6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-(3,4,5-Trihydroxybenzoyl)-β-D-glucopyranoside de 2-(4-méthyl-3-cyclohexén-1-yl)-2-propanyle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl, 6-(3,4,5-trihydroxybenzoate) [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 713.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.5±3.0 kJ/mol
Flash Point: 242.4±26.4 °C
Index of Refraction: 1.629
Molar Refractivity: 115.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 4.91
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 216.82
ACD/KOC (pH 5.5): 1633.34
ACD/LogD (pH 7.4): 3.21
ACD/BCF (pH 7.4): 149.18
ACD/KOC (pH 7.4): 1123.81
Polar Surface Area: 166 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 74.9±5.0 dyne/cm
Molar Volume: 325.1±5.0 cm3

Click to predict properties on the Chemicalize site


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