ChemSpider 2D Image | (3R)-3,7-Dimethyl-1,6-octadien-3-yl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside | C21H36O10

(3R)-3,7-Dimethyl-1,6-octadien-3-yl 6-O-α-L-arabinopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC21H36O10
  • Average mass448.504 Da
  • Monoisotopic mass448.230835 Da
  • ChemSpider ID22913087

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3R)-3,7-Dimethyl-1,6-octadien-3-yl 6-O-α-L-arabinopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
(3R)-3,7-Dimethyl-1,6-octadien-3-yl-6-O-α-L-arabinopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-α-L-Arabinopyranosyl-β-D-glucopyranoside de (3R)-3,7-diméthyl-1,6-octadién-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (1R)-1-ethenyl-1,5-dimethyl-4-hexen-1-yl 6-O-α-L-arabinopyranosyl- [ACD/Index Name]
(2S,3R,4S,5S,6R)-2-[(3R)-3,7-Dimethylocta-1,6-dien-3-yl]oxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol

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

Density: 1.3±0.1 g/cm3
Boiling Point: 652.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 110.1±6.0 kJ/mol
Flash Point: 348.3±31.5 °C
Index of Refraction: 1.567
Molar Refractivity: 110.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.23
ACD/LogD (pH 5.5): 1.40
ACD/BCF (pH 5.5): 6.79
ACD/KOC (pH 5.5): 137.11
ACD/LogD (pH 7.4): 1.40
ACD/BCF (pH 7.4): 6.79
ACD/KOC (pH 7.4): 137.10
Polar Surface Area: 158 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 61.0±5.0 dyne/cm
Molar Volume: 338.8±5.0 cm3

Click to predict properties on the Chemicalize site


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