ChemSpider 2D Image | 2-[(1S)-4-Methyl-3-cyclohexen-1-yl]-2-propanyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside | C21H36O10

2-[(1S)-4-Methyl-3-cyclohexen-1-yl]-2-propanyl 6-O-α-L-arabinopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC21H36O10
  • Average mass448.504 Da
  • Monoisotopic mass448.230835 Da
  • ChemSpider ID34236765

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

2-[(1S)-4-Methyl-3-cyclohexen-1-yl]-2-propanyl 6-O-α-L-arabinopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
2-[(1S)-4-Methyl-3-cyclohexen-1-yl]-2-propanyl-6-O-α-L-arabinopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-α-L-Arabinopyranosyl-β-D-glucopyranoside de 2-[(1S)-4-méthyl-3-cyclohexén-1-yl]-2-propanyle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 1-methyl-1-[(1S)-4-methyl-3-cyclohexen-1-yl]ethyl 6-O-α-L-arabinopyranosyl- [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: 648.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.5±6.0 kJ/mol
Flash Point: 346.0±31.5 °C
Index of Refraction: 1.584
Molar Refractivity: 108.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 2.68
ACD/LogD (pH 5.5): 1.32
ACD/BCF (pH 5.5): 5.98
ACD/KOC (pH 5.5): 125.16
ACD/LogD (pH 7.4): 1.32
ACD/BCF (pH 7.4): 5.98
ACD/KOC (pH 7.4): 125.16
Polar Surface Area: 158 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 65.7±5.0 dyne/cm
Molar Volume: 325.3±5.0 cm3

Click to predict properties on the Chemicalize site


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