ChemSpider 2D Image | 6-Cyclohexyl-2-(4-cyclohexylbutyl)-2-({[4-O-(alpha-D-glucopyranosyl)-beta-D-glucopyranosyl]oxy}methyl)hexyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside | C47H84O22

6-Cyclohexyl-2-(4-cyclohexylbutyl)-2-({[4-O-(α-D-glucopyranosyl)-β-D-glucopyranosyl]oxy}methyl)hexyl 4-O-α-D-glucopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC47H84O22
  • Average mass1001.157 Da
  • Monoisotopic mass1000.545410 Da
  • ChemSpider ID35035760
  • defined stereocentres - 20 of 20 defined stereocentres


More details:






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

4-O-α-D-Glucopyranosyl-β-D-glucopyranoside de 6-cyclohexyl-2-(4-cyclohexylbutyl)-2-({[4-O-(α-D-glucopyranosyl)-β-D-glucopyranosyl]oxy}méthyl)hexyle [French] [ACD/IUPAC Name]
6-Cyclohexyl-2-(4-cyclohexylbutyl)-2-({[4-O-(α-D-glucopyranosyl)-β-D-glucopyranosyl]oxy}methyl)hexyl 4-O-α-D-glucopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
6-Cyclohexyl-2-(4-cyclohexylbutyl)-2-({[4-O-(α-D-glucopyranosyl)-β-D-glucopyranosyl]oxy}methyl)hexyl-4-O-α-D-glucopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside, 6-cyclohexyl-2-(4-cyclohexylbutyl)-2-[[(4-O-α-D-glucopyranosyl-β-D-glucopyranosyl)oxy]methyl]hexyl 4-O-α-D-glucopyranosyl- [ACD/Index Name]
C6N

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 1129.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 188.0±6.0 kJ/mol
Flash Point: 636.8±34.3 °C
Index of Refraction: 1.609
Molar Refractivity: 242.4±0.4 cm3
#H bond acceptors: 22
#H bond donors: 14
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 3
ACD/LogP: 2.83
ACD/LogD (pH 5.5): 0.92
ACD/BCF (pH 5.5): 2.96
ACD/KOC (pH 5.5): 75.68
ACD/LogD (pH 7.4): 0.92
ACD/BCF (pH 7.4): 2.96
ACD/KOC (pH 7.4): 75.68
Polar Surface Area: 357 Å2
Polarizability: 96.1±0.5 10-24cm3
Surface Tension: 79.2±5.0 dyne/cm
Molar Volume: 700.2±5.0 cm3

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